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    + N Br H 3 C H 3 C N S 2- Cu N CH 3 CH 3 N + N
    E5O
    Name:2-bromanyl-9-ethyl-~{N},~{N},7-trimethyl-3-thia-1$l^{4},5,6$l^{4},10-tetraza-2$l^{4}-cupratricyclo[6.4.0.0^{2,6}]dodeca-1(8),4,6,9,11-pentaen-4-amine
    Formula:C11 H16 Br Cu N5 S
    SMILES:CCc1ncc[n+]2c1C(=[N+]3N=C(S[Cu--]23Br)N(C)C)C
    InChi:InChI=1S/C11H17N5S.BrH.Cu/c1-5-9-10(13-7-6-12-9)8(2)14-15-11(17)16(3)4
    Definition date:2019-10-18
    Last modified:2020-10-16
    Release date:2020-10-21
    Identifier:2-bromanyl-9-ethyl-~{N},~{N},7-trimethyl-3-thia-1$l^{4},5,6$l^{4},10-tetraza-2$l^{4}-cupratricyclo[6.4.0.0^{2,6}]dodeca-1(8),4,6,9,11-pentaen-4-amine
    O HO OH N N H 2 N N N OH NH 2 + S O + N O _ O
    EU9
    Name:[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[(3R)-3-azanyl-4-oxidanyl-4-oxidanylidene-butyl]-[(2-nitrophenyl)methyl]sulfanium
    Formula:C21 H26 N7 O7 S
    SMILES:N[CH](CC[S+](C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)Cc4ccccc4[N](=O)=O)C(O)=O
    InChi:InChI=1S/C21H25N7O7S/c22-12(21(31)32)5-6-36(7-11-3-1-2-4-13(11)28(33)34)8-14-16(29)17(30)20(35-14)27-10-26-15-18(23)24-9-25-19(15)27/h1-4,9-10,12,14,16-17,20,29-30H,5-8,22H2,(H2-,23,24,25,31,32)/p+1/t12-,14-,16-,17-,20-,36-/m1/s1
    Definition date:2020-01-24
    Last modified:2020-10-16
    Release date:2020-10-21
    Identifier:[(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[(3~{R})-3-azanyl-4-oxidanyl-4-oxidanylidene-butyl]-[(2-nitrophenyl)methyl]sulfanium
    O S H 2 N N CH 3 CH 3 O HO OH N O N H HO B O O HO P
    LP0
    Name:(7Z)-7-(2-amino-1,3-thiazol-4-yl)-1,1,3-trihydroxy-10,10-dimethyl-1,6-dioxo-2,9-dioxa-5,8-diaza-1lambda~5~-phospha-3-boraundec-7-en-11-oic acid
    Formula:C10 H16 B N4 O9 P S
    SMILES:OP(O)(=O)OB(O)CNC(\C(=N/OC(C)(C(O)=O)C)c1csc(n1)N)=O
    InChi:InChI=1S/C10H16BN4O9PS/c1-10(2,8(17)18)23-15-6(5-3-26-9(12)14-5)7(16)13-4-11(19)24-25(20,21)22/h3,19H,4H2,1-2H3,(H2,12,14)(H,13,16)(H,17,18)(H2,20,21,22)/b15-6-
    Definition date:2019-07-25
    Last modified:2020-10-16
    Release date:2020-10-21
    Identifier:(7Z)-7-(2-amino-1,3-thiazol-4-yl)-1,1,3-trihydroxy-10,10-dimethyl-1,6-dioxo-2,9-dioxa-5,8-diaza-1lambda~5~-phospha-3-boraundec-7-en-11-oic acid
    O N O H 3 C N N
    N07
    Name:[3'-(5-methyl-1,3,4-oxadiazol-2-yl)[1,1'-biphenyl]-3-yl](piperidin-1-yl)methanone
    Formula:C21 H21 N3 O2
    SMILES:Cc1nnc(o1)c2cccc(c2)c3cccc(c3)C(=O)N4CCCCC4
    InChi:InChI=1S/C21H21N3O2/c1-15-22-23-20(26-15)18-9-5-7-16(13-18)17-8-6-10-19(14-17)21(25)24-11-3-2-4-12-24/h5-10,13-14H,2-4,11-12H2,1H3
    Definition date:2019-04-26
    Last modified:2020-10-16
    Release date:2020-10-21
    Identifier:[3'-(5-methyl-1,3,4-oxadiazol-2-yl)[1,1'-biphenyl]-3-yl](piperidin-1-yl)methanone
    Br Br OH O O OH N
    ND5
    Name:3-[(~{E})-[3,5-bis(bromanyl)-2-oxidanyl-phenyl]methylideneamino]oxypropanoic acid
    Formula:C10 H9 Br2 N O4
    SMILES:OC(=O)CCON=Cc1cc(Br)cc(Br)c1O
    InChi:InChI=1S/C10H9Br2NO4/c11-7-3-6(10(16)8(12)4-7)5-13-17-2-1-9(14)15/h3-5,16H,1-2H2,(H,14,15)/b13-5+
    Definition date:2019-11-22
    Last modified:2020-10-16
    Release date:2020-10-21
    Identifier:3-[(~{E})-[3,5-bis(bromanyl)-2-oxidanyl-phenyl]methylideneamino]oxypropanoic acid
    F F F N H N NH 2 O OH O O CH 3
    OWW
    Name:3-[(3~{R})-3-[aminocarbonyl(oxidanyl)amino]but-1-ynyl]-~{N}-[(3~{S})-3-phenyl-3-[4-(trifluoromethyloxy)phenyl]propyl]benzamide
    Formula:C28 H26 F3 N3 O4
    SMILES:C[CH](C#Cc1cccc(c1)C(=O)NCC[CH](c2ccccc2)c3ccc(OC(F)(F)F)cc3)N(O)C(N)=O
    InChi:InChI=1S/C28H26F3N3O4/c1-19(34(37)27(32)36)10-11-20-6-5-9-23(18-20)26(35)33-17-16-25(21-7-3-2-4-8-21)22-12-14-24(15-13-22)38-28(29,30)31/h2-9,12-15,18-19,25,37H,16-17H2,1H3,(H2,32,36)(H,33,35)/t19-,25+/m1/s1
    Definition date:2020-04-06
    Last modified:2020-10-16
    Release date:2020-10-21
    Identifier:3-[(3~{R})-3-[aminocarbonyl(oxidanyl)amino]but-1-ynyl]-~{N}-[(3~{S})-3-phenyl-3-[4-(trifluoromethyloxy)phenyl]propyl]benzamide
    CH 3 O OH N CH CH 3
    QA1
    Name:Danazol
    Formula:C22 H27 N O2
    SMILES:C21C(C(C#C)(CC1)O)(CCC3C2CCC=4C3(Cc5c(C=4)onc5)C)C
    InChi:InChI=1S/C22H27NO2/c1-4-22(24)10-8-18-16-6-5-15-11-19-14(13-23-25-19)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,24H,5-10,12H2,2-3H3/t16-,17+,18+,20+,21+,22+/m1/s1
    Synonyms:(1R,3aS,3bR,10aR,10bS,12aS)-1-ethynyl-10a,12a-dimethyl-2,3,3a,3b,4,5,10,10a,10b,11,12,12a-dodecahydro-1H-cyclopenta[7,8 ]phenanthro[3,2-d][1,2]oxazol-1-ol
    Definition date:2019-10-08
    Last modified:2020-10-16
    Release date:2020-10-21
    Identifier:(1R,3aS,3bR,10aR,10bS,12aS)-1-ethynyl-10a,12a-dimethyl-2,3,3a,3b,4,5,10,10a,10b,11,12,12a-dodecahydro-1H-cyclopenta[7,8]phenanthro[3,2-d][1,2]oxazol-1-ol
    O N H O O F O N H CH 3
    QC8
    Name:(2~{S},3~{S})-2-(fluoranylmethyl)-~{N}7-methyl-~{N}5-[(1~{R},5~{S})-3-oxabicyclo[3.1.0]hexan-6-yl]-3-phenyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide
    Formula:C23 H23 F N2 O4
    SMILES:CNC(=O)c1cc(cc2[CH]([CH](CF)Oc12)c3ccccc3)C(=O)NC4[CH]5COC[CH]45
    InChi:InChI=1S/C23H23FN2O4/c1-25-23(28)15-8-13(22(27)26-20-16-10-29-11-17(16)20)7-14-19(12-5-3-2-4-6-12)18(9-24)30-21(14)15/h2-8,16-20H,9-11H2,1H3,(H,25,28)(H,26,27)/t16-,17+,18-,19+,20+/m1/s1
    Definition date:2020-06-04
    Last modified:2020-10-16
    Release date:2020-10-21
    Identifier:(2~{S},3~{S})-2-(fluoranylmethyl)-~{N}7-methyl-~{N}5-[(1~{R},5~{S})-3-oxabicyclo[3.1.0]hexan-6-yl]-3-phenyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide
    S S O O HO O O OH O O H 3 C O O O HO OH O O HO O N H OH OH
    QG2
    Name:(2~{S},3~{S},4~{R},5~{R},6~{S})-3-[(2~{R},3~{R},4~{R},5~{S},6~{R})-4,5-bis(oxidanyl)-3-(sulfoamino)-6-(sulfooxymethyl)oxan-2-yl]oxy-6-(4-methyl-2-oxidanylidene-chromen-7-yl)oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid
    Formula:C22 H27 N O19 S2
    SMILES:CC1=CC(=O)Oc2cc(O[CH]3O[CH]([CH](O[CH]4O[CH](CO[S](O)(=O)=O)[CH](O)[CH](O)[CH]4N[S](O)(=O)=O)[CH](O)[CH]3O)C(O)=O)ccc12
    InChi:InChI=1S/C22H27NO19S2/c1-7-4-12(24)39-10-5-8(2-3-9(7)10)38-22-17(28)16(27)18(19(42-22)20(29)30)41-21-13(23-43(31,32)33)15(26)14(25)11(40-21)6-37-44(34,35)36/h2-5,11,13-19,21-23,25-28H,6H2,1H3,(H,29,30)(H,31,32,33)(H,34,35,36)/t11-,13-,14-,15-,16-,17-,18+,19+,21-,22-/m1/s1
    Definition date:2020-06-16
    Last modified:2020-10-16
    Release date:2020-10-21
    Identifier:(2~{S},3~{S},4~{R},5~{R},6~{S})-3-[(2~{R},3~{R},4~{R},5~{S},6~{R})-4,5-bis(oxidanyl)-3-(sulfoamino)-6-(sulfooxymethyl)oxan-2-yl]oxy-6-(4-methyl-2-oxidanylidene-chromen-7-yl)oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid
    HO F F N N N CH 3 N S N
    QKM
    Name:4-{2-[(2R,3R)-3-(2,5-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl}benzonitrile
    Formula:C22 H17 F2 N5 O S
    SMILES:CC(C(c1c(ccc(c1)F)F)(Cn2ncnc2)O)c4nc(c3ccc(cc3)C#N)cs4
    InChi:InChI=1S/C22H17F2N5OS/c1-14(21-28-20(10-31-21)16-4-2-15(9-25)3-5-16)22(30,11-29-13-26-12-27-29)18-8-17(23)6-7-19(18)24/h2-8,10,12-14,30H,11H2,1H3/t14-,22+/m0/s1
    Synonyms:Isavuconazole
    Definition date:2019-11-07
    Last modified:2020-10-16
    Release date:2020-10-21
    Identifier:4-{2-[(2R,3R)-3-(2,5-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl}benzonitrile
    O CH 3 OH CH 3 OH CH 3 O H 3 C O H 3 C H 3 C HO H 3 C
    QR8
    Name:(3~{R},4~{S},5~{R},6~{S},7~{S},9~{S},11~{R},12~{S},13~{R},14~{R})-3,5,7,9,11,13,14-heptamethyl-4,6,12-tris(oxidanyl)-1-oxacyclotetradecane-2,10-dione
    Formula:C20 H36 O6
    SMILES:C[CH]1C[CH](C)C(=O)[CH](C)[CH](O)[CH](C)[CH](C)OC(=O)[CH](C)[CH](O)[CH](C)[CH]1O
    InChi:InChI=1S/C20H36O6/c1-9-8-10(2)17(22)13(5)19(24)14(6)20(25)26-15(7)11(3)18(23)12(4)16(9)21/h9-15,17-19,22-24H,8H2,1-7H3/t9-,10-,11-,12-,13+,14+,15+,17-,18-,19-/m0/s1
    Definition date:2020-07-28
    Last modified:2020-10-16
    Release date:2020-10-21
    Identifier:(3~{R},4~{S},5~{R},6~{S},7~{S},9~{S},11~{R},12~{S},13~{R},14~{R})-3,5,7,9,11,13,14-heptamethyl-4,6,12-tris(oxidanyl)-1-oxacyclotetradecane-2,10-dione
    H 3 C H 3 C N NH N N O O O O OH O O O O OH CH 3 CH 3 CH 3 H 3 C
    R1Q
    Name:vincristine
    Formula:C46 H56 N4 O10
    SMILES:CC[C]1(O)C[CH]2C[N](CCc3c([nH]c4ccccc34)[C](C2)(C(=O)OC)c5cc6c(cc5OC)N(C=O)[CH]7[C](O)([CH](OC(C)=O)[C]8(CC)C=CCN9CC[C]67[CH]89)C(=O)OC)C1
    InChi:InChI=1S/C46H56N4O10/c1-7-42(55)22-28-23-45(40(53)58-5,36-30(14-18-48(24-28)25-42)29-12-9-10-13-33(29)47-36)32-20-31-34(21-35(32)57-4)50(26-51)38-44(31)16-19-49-17-11-15-43(8-2,37(44)49)39(60-27(3)52)46(38,56)41(54)59-6/h9-13,15,20-21,26,28,37-39,47,55-56H,7-8,14,16-19,22-25H2,1-6H3/t28-,37-,38+,39+,42-,43+,44+,45-,46-/m0/s1
    Definition date:2020-08-25
    Last modified:2020-10-16
    Release date:2020-10-21
    N H 3 C N NH CH N N H O NH
    R5W
    Name:3-(3-(but-3-yn-1-yl)-3H-diazirin-3-yl)-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propanamide
    Formula:C15 H18 N6 O
    SMILES:Cc1nnc2n1cccc2NC(=O)CCC3(CCC#C)NN3
    InChi:InChI=1S/C15H18N6O/c1-3-4-8-15(19-20-15)9-7-13(22)16-12-6-5-10-21-11(2)17-18-14(12)21/h1,5-6,10,19-20H,4,7-9H2,2H3,(H,16,22)
    Synonyms:3-(3-but-3-ynyl-1,2-diaziridin-3-yl)-~{N}-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propanamide
    Definition date:2020-09-02
    Last modified:2020-10-16
    Release date:2020-10-21
    Identifier:3-(3-but-3-ynyl-1,2-diaziridin-3-yl)-~{N}-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propanamide
    HO HO HO OH O CH 3 OH HN O
    R8T
    Name:(3~{S},4~{S},5~{R})-4-acetamido-3-oxidanyl-5-[(1~{S},2~{R})-1,2,3-tris(oxidanyl)propyl]cyclohexane-1-carboxylic acid
    Formula:C12 H21 N O7
    SMILES:CC(=O)N[CH]1[CH](O)C[CH](C[CH]1[CH](O)[CH](O)CO)C(O)=O
    InChi:InChI=1S/C12H21NO7/c1-5(15)13-10-7(11(18)9(17)4-14)2-6(12(19)20)3-8(10)16/h6-11,14,16-18H,2-4H2,1H3,(H,13,15)(H,19,20)/t6-,7-,8+,9-,10+,11+/m1/s1
    Synonyms:isocarba-DANA
    Definition date:2020-09-18
    Last modified:2020-10-16
    Release date:2020-10-21
    Identifier:(3~{S},4~{S},5~{R})-4-acetamido-3-oxidanyl-5-[(1~{S},2~{R})-1,2,3-tris(oxidanyl)propyl]cyclohexane-1-carboxylic acid
    O HN S N O OH N N N N N
    RQ7
    Name:6-{8-[(1,3-benzothiazol-2-yl)carbamoyl]-3,4-dihydroisoquinolin-2(1H)-yl}-3-{1-[(pyridin-4-yl)methyl]-1H-pyrazol-4-yl}pyridine-2-carboxylic acid
    Formula:C32 H25 N7 O3 S
    SMILES:N4(c1nc(c(cc1)c2cn(nc2)Cc3ccncc3)C(=O)O)Cc5c(CC4)cccc5C(=O)Nc6nc7c(s6)cccc7
    InChi:InChI=1S/C32H25N7O3S/c40-30(37-32-35-26-6-1-2-7-27(26)43-32)24-5-3-4-21-12-15-38(19-25(21)24)28-9-8-23(29(36-28)31(41)42)22-16-34-39(18-22)17-20-10-13-33-14-11-20/h1-11,13-14,16,18H,12,15,17,19H2,(H,41,42)(H,35,37,40)
    Definition date:2020-02-20
    Last modified:2020-10-16
    Release date:2020-10-21
    Identifier:6-{8-[(1,3-benzothiazol-2-yl)carbamoyl]-3,4-dihydroisoquinolin-2(1H)-yl}-3-{1-[(pyridin-4-yl)methyl]-1H-pyrazol-4-yl}pyridine-2-carboxylic acid
    CH 3 H 3 C H 3 C H 2 N O O O O O O O O H 3 C CH 3 N CH 3 CH 3 H 3 C
    TFJ
    Name:(1E,3R,4R,5S,6R,9S,10S,12S)-12-[(4-aminobutanoyl)oxy]-1-[ethyl(formyl)amino]-4,10-dimethoxy-3,5,9,13-tetramethyltetradec-1-en-6-yl (2R)-oxolane-2-carboxylate
    Formula:C32 H58 N2 O8
    SMILES:N(C=O)([C@H]=CC(C(C(C)C(CCC(C(OC)CC(C(C)C)OC(=O)CCCN)C)OC(C1OCCC1)=O)OC)C)CC
    InChi:InChI=1S/C32H58N2O8/c1-9-34(21-35)18-16-24(5)31(39-8)25(6)26(42-32(37)27-12-11-19-40-27)15-14-23(4)29(38-7)20-28(22(2)3)41-30(36)13-10-17-33/h16,18,21-29,31H,9-15,17,19-20,33H2,1-8H3/b18-16+/t23-,24+,25-,26+,27+,28-,29-,31+/m0/s1
    Definition date:2020-03-20
    Last modified:2020-10-16
    Release date:2020-10-21
    Identifier:(1E,3R,4R,5S,6R,9S,10S,12S)-12-[(4-aminobutanoyl)oxy]-1-[ethyl(formyl)amino]-4,10-dimethoxy-3,5,9,13-tetramethyltetradec-1-en-6-yl (2R)-oxolane-2-carboxylate
    O O N HN CH 3
    UOV
    Name:N-(4'-methyl[1,1'-biphenyl]-4-yl)-1-oxa-7-azaspiro[3.5]nonane-7-carboxamide
    Formula:C21 H24 N2 O2
    SMILES:C1N(CCC2(C1)CCO2)C(=O)Nc4ccc(c3ccc(C)cc3)cc4
    InChi:InChI=1S/C21H24N2O2/c1-16-2-4-17(5-3-16)18-6-8-19(9-7-18)22-20(24)23-13-10-21(11-14-23)12-15-25-21/h2-9H,10-15H2,1H3,(H,22,24)
    Definition date:2020-05-26
    Last modified:2020-10-16
    Release date:2020-10-21
    Identifier:N-(4'-methyl[1,1'-biphenyl]-4-yl)-1-oxa-7-azaspiro[3.5]nonane-7-carboxamide
    CH 3 CH 3 O N N O N H 2 N N F F
    V0Y
    Name:4-[2-(4-aminopiperidin-1-yl)-5-(3-fluoro-4-methoxyphenyl)-1-methyl-6-oxo-1,6-dihydropyrimidin-4-yl]-2-fluorobenzonitrile
    Formula:C24 H23 F2 N5 O2
    SMILES:N#Cc1c(cc(cc1)C=3N=C(N2CCC(N)CC2)N(C(C=3c4cc(F)c(OC)cc4)=O)C)F
    InChi:InChI=1S/C24H23F2N5O2/c1-30-23(32)21(14-5-6-20(33-2)19(26)11-14)22(15-3-4-16(13-27)18(25)12-15)29-24(30)31-9-7-17(28)8-10-31/h3-6,11-12,17H,7-10,28H2,1-2H3
    Definition date:2020-06-11
    Last modified:2020-10-16
    Release date:2020-10-21
    Identifier:4-[2-(4-aminopiperidin-1-yl)-5-(3-fluoro-4-methoxyphenyl)-1-methyl-6-oxo-1,6-dihydropyrimidin-4-yl]-2-fluorobenzonitrile
    F F O HN O CH 3 N CH 3
    VU7
    Name:6-fluoro-2-(2'-fluoro[1,1'-biphenyl]-4-yl)-N-methoxy-3-methylquinoline-4-carboxamide
    Formula:C24 H18 F2 N2 O2
    SMILES:CONC(=O)c1c(C)c(nc2c1cc(cc2)F)c4ccc(c3c(cccc3)F)cc4
    InChi:InChI=1S/C24H18F2N2O2/c1-14-22(24(29)28-30-2)19-13-17(25)11-12-21(19)27-23(14)16-9-7-15(8-10-16)18-5-3-4-6-20(18)26/h3-13H,1-2H3,(H,28,29)
    Definition date:2020-09-15
    Last modified:2020-10-16
    Release date:2020-10-21
    Identifier:6-fluoro-2-(2'-fluoro[1,1'-biphenyl]-4-yl)-N-methoxy-3-methylquinoline-4-carboxamide
    O + N N H 3 C H 3 C
    YO3
    Name:YO3-biotin
    Formula:C21 H19 N2 O
    SMILES:CN2C=CC(c1c2cccc1)=[C@H][C@H]=[C@H]c3[n+](c4c(o3)cccc4)C
    InChi:InChI=1S/C21H19N2O/c1-22-15-14-16(17-9-3-4-10-18(17)22)8-7-13-21-23(2)19-11-5-6-12-20(19)24-21/h3-15H,1-2H3/q+1
    Synonyms:3-methyl-2-[(1E,3E)-3-(1-methylquinolin-4(1H)-ylidene)prop-1-en-1-yl]-1,3-benzoxazol-3-ium
    Definition date:2019-10-17
    Last modified:2020-10-16
    Release date:2020-10-21
    Identifier:3-methyl-2-[(1E,3E)-3-(1-methylquinolin-4(1H)-ylidene)prop-1-en-1-yl]-1,3-benzoxazol-3-ium
    HO O P OH OH O O P O OH O P O HO HO HO P OH OH O O P O O OH O P HO O OH
    I6P
    Name:INOSITOL 1,2,3,4,5,6-HEXAKISPHOSPHATE
    Formula:C6 H18 O24 P6
    SMILES:O=P(OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O)(O)O
    InChi:InChI=1S/C6H18O24P6/c7-31(8,9)25-1-2(26-32(10,11)12)4(28-34(16,17)18)6(30-36(22,23)24)5(29-35(19,20)21)3(1)27-33(13,14)15/h1-6H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2-,3-,4+,5-,6-
    Synonyms:MYO-INOSITOL HEXAKISPHOSPHATE
    Definition date:2010-03-31
    Last modified:2020-10-14
    Identifier:(1R,2S,3r,4R,5S,6s)-cyclohexane-1,2,3,4,5,6-hexayl hexakis[dihydrogen (phosphate)]
    H 2 N N N NH N
    7GD
    Name:7-benzyl-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
    Formula:C12 H11 N5
    SMILES:c1c(cccc1)Cc2cc(nc3c2nnn3)N
    InChi:InChI=1S/C12H11N5/c13-10-7-9(6-8-4-2-1-3-5-8)11-12(14-10)16-17-15-11/h1-5,7H,6H2,(H3,13,14,15,16,17)
    Definition date:2016-10-19
    Last modified:2020-10-09
    Release date:2020-10-14
    Identifier:7-benzyl-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
    CH 3 O CH 3 O O OH OH
    E4L
    Name:ethyl 2-[2-octanoyl-3,5-bis(oxidanyl)phenyl]ethanoate
    Formula:C18 H26 O5
    SMILES:CCCCCCCC(=O)c1c(O)cc(O)cc1CC(=O)OCC
    InChi:InChI=1S/C18H26O5/c1-3-5-6-7-8-9-15(20)18-13(11-17(22)23-4-2)10-14(19)12-16(18)21/h10,12,19,21H,3-9,11H2,1-2H3
    Synonyms:ethyl 2-(3,5-dihydroxy-2-octanoylphenyl)acetate
    Definition date:2019-10-10
    Last modified:2020-10-09
    Release date:2020-10-14
    Identifier:ethyl 2-[2-octanoyl-3,5-bis(oxidanyl)phenyl]ethanoate
    CH 3 Cl HO O O O N N N N H 3 C CH 3 CH 3
    ED3
    Name:3-(2-chlorophenyl)-6-(1,3-dimethyl-5-oxidanyl-pyrazol-4-yl)carbonyl-1,5-dimethyl-quinazoline-2,4-dione
    Formula:C22 H19 Cl N4 O4
    SMILES:Cn1nc(C)c(c1O)C(=O)c2ccc3N(C)C(=O)N(C(=O)c3c2C)c4ccccc4Cl
    InChi:InChI=1S/C22H19ClN4O4/c1-11-13(19(28)18-12(2)24-26(4)20(18)29)9-10-16-17(11)21(30)27(22(31)25(16)3)15-8-6-5-7-14(15)23/h5-10,29H,1-4H3
    Definition date:2019-12-11
    Last modified:2020-10-09
    Release date:2020-10-14
    Identifier:3-(2-chlorophenyl)-6-(1,3-dimethyl-5-oxidanyl-pyrazol-4-yl)carbonyl-1,5-dimethyl-quinazoline-2,4-dione
    O O HO NH H 3 C H 3 C CH 3
    F56
    Name:3-[(E,2S,4S)-2,4-dimethyloct-6-enoyl]-4-oxidanyl-1H-pyridin-2-one
    Formula:C15 H21 N O3
    SMILES:CC=CC[CH](C)C[CH](C)C(=O)C1=C(O)C=CNC1=O
    InChi:InChI=1S/C15H21NO3/c1-4-5-6-10(2)9-11(3)14(18)13-12(17)7-8-16-15(13)19/h4-5,7-8,10-11H,6,9H2,1-3H3,(H2,16,17,19)/b5-4+/t10-,11-/m0/s1
    Definition date:2020-03-31
    Last modified:2020-10-09
    Release date:2020-10-14
    Identifier:3-[(~{E},2~{S},4~{S})-2,4-dimethyloct-6-enoyl]-4-oxidanyl-1~{H}-pyridin-2-one
    169963
    PDB entries from 2020-10-14