Quick search:
    Go to Chemie search
    S O N H N H 2 N N NH 2 N F F N CH 3
    KUY
    Name:5-amino-N-{5-[(4S)-4-aminoazepan-1-yl]-1-methyl-1H-pyrazol-4-yl}-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
    Formula:C20 H23 F2 N7 O S
    SMILES:n3(c(c(NC(c2nc(c1c(cccc1F)F)sc2N)=O)cn3)N4CCC(CCC4)N)C
    InChi:InChI=1S/C20H23F2N7OS/c1-28-20(29-8-3-4-11(23)7-9-29)14(10-25-28)26-18(30)16-17(24)31-19(27-16)15-12(21)5-2-6-13(15)22/h2,5-6,10-11H,3-4,7-9,23-24H2,1H3,(H,26,30)/t11-/m0/s1
    Definition date:2019-01-17
    Last modified:2019-11-22
    Release date:2019-11-27
    Identifier:5-amino-N-{5-[(4S)-4-aminoazepan-1-yl]-1-methyl-1H-pyrazol-4-yl}-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
    O F F O OH F N
    KVB
    Name:2-[4-[[3-[3-(phenylmethyl)-8-(trifluoromethyl)quinolin-4-yl]phenoxy]methyl]phenyl]ethanoic acid
    Formula:C32 H24 F3 N O3
    SMILES:OC(=O)Cc1ccc(COc2cccc(c2)c3c(Cc4ccccc4)cnc5c3cccc5C(F)(F)F)cc1
    InChi:InChI=1S/C32H24F3NO3/c33-32(34,35)28-11-5-10-27-30(25(19-36-31(27)28)16-21-6-2-1-3-7-21)24-8-4-9-26(18-24)39-20-23-14-12-22(13-15-23)17-29(37)38/h1-15,18-19H,16-17,20H2,(H,37,38)
    Definition date:2019-06-29
    Last modified:2019-11-22
    Release date:2019-11-27
    Identifier:2-[4-[[3-[3-(phenylmethyl)-8-(trifluoromethyl)quinolin-4-yl]phenoxy]methyl]phenyl]ethanoic acid
    O O NH 2 S N O O OH N S N H H 3 C CH 3
    KVK
    Name:6-[4-[[3-oxidanyl-1,1-bis(oxidanylidene)-5-phenyl-2-propan-2-yl-3~{H}-1,2-thiazol-4-yl]amino]butyl]pyridine-2-sulfonamide
    Formula:C21 H28 N4 O5 S2
    SMILES:CC(C)N1[CH](O)C(=C(c2ccccc2)[S]1(=O)=O)NCCCCc3cccc(n3)[S](N)(=O)=O
    InChi:InChI=1S/C21H28N4O5S2/c1-15(2)25-21(26)19(20(32(25,29)30)16-9-4-3-5-10-16)23-14-7-6-11-17-12-8-13-18(24-17)31(22,27)28/h3-5,8-10,12-13,15,21,23,26H,6-7,11,14H2,1-2H3,(H2,22,27,28)/t21-/m0/s1
    Definition date:2019-06-29
    Last modified:2019-11-22
    Release date:2019-11-27
    Identifier:6-[4-[[3-oxidanyl-1,1-bis(oxidanylidene)-5-phenyl-2-propan-2-yl-3~{H}-1,2-thiazol-4-yl]amino]butyl]pyridine-2-sulfonamide
    OH P O OH O N OH O
    KVM
    Name:[(3S)-1-hydroxy-2,5-dioxopyrrolidin-3-yl]phosphonic acid
    Formula:C4 H6 N O6 P
    SMILES:OP(O)(=O)C1CC(N(O)C1=O)=O
    InChi:InChI=1S/C4H6NO6P/c6-3-1-2(12(9,10)11)4(7)5(3)8/h2,8H,1H2,(H2,9,10,11)/t2-/m0/s1
    Definition date:2019-01-18
    Last modified:2019-11-22
    Release date:2019-11-27
    Identifier:[(3S)-1-hydroxy-2,5-dioxopyrrolidin-3-yl]phosphonic acid
    Cl Cl O N F O OH
    L5B
    Name:6-(2,4-dichlorophenyl)-5-[4-[(3~{S})-1-(3-fluoranylpropyl)pyrrolidin-3-yl]oxyphenyl]-8,9-dihydro-7~{H}-benzo[7]annulene-2-carboxylic acid
    Formula:C31 H30 Cl2 F N O3
    SMILES:OC(=O)c1ccc2c(CCCC(=C2c3ccc(O[CH]4CCN(CCCF)C4)cc3)c5ccc(Cl)cc5Cl)c1
    InChi:InChI=1S/C31H30Cl2FNO3/c32-23-8-12-27(29(33)18-23)28-4-1-3-21-17-22(31(36)37)7-11-26(21)30(28)20-5-9-24(10-6-20)38-25-13-16-35(19-25)15-2-14-34/h5-12,17-18,25H,1-4,13-16,19H2,(H,36,37)/t25-/m0/s1
    Definition date:2019-07-22
    Last modified:2019-11-22
    Release date:2019-11-27
    Identifier:6-(2,4-dichlorophenyl)-5-[4-[(3~{S})-1-(3-fluoranylpropyl)pyrrolidin-3-yl]oxyphenyl]-8,9-dihydro-7~{H}-benzo[7]annulene-2-carboxylic acid
    O O HO N N H N N F F H 3 C
    L68
    Name:2-[3-[2,6-bis(fluoranyl)-4-(1~{H}-pyrazol-4-yl)phenyl]-3-oxidanylidene-prop-1-enyl]-4-(1-methylpyrazol-4-yl)benzoic acid
    Formula:C23 H16 F2 N4 O3
    SMILES:Cn1cc(cn1)c2ccc(C(O)=O)c(C=CC(=O)c3c(F)cc(cc3F)c4c[nH]nc4)c2
    InChi:InChI=1S/C23H16F2N4O3/c1-29-12-17(11-28-29)13-2-4-18(23(31)32)14(6-13)3-5-21(30)22-19(24)7-15(8-20(22)25)16-9-26-27-10-16/h2-12H,1H3,(H,26,27)(H,31,32)/b5-3+
    Definition date:2019-07-23
    Last modified:2019-11-22
    Release date:2019-11-27
    Identifier:2-[3-[2,6-bis(fluoranyl)-4-(1~{H}-pyrazol-4-yl)phenyl]-3-oxidanylidene-prop-1-enyl]-4-(1-methylpyrazol-4-yl)benzoic acid
    O O O O N H N H CH 3
    L6B
    Name:methyl 4-[(2-oxidanylidene-5,6,7,8-tetrahydro-1~{H}-quinolin-3-yl)carbonylamino]but-3-enoate
    Formula:C15 H18 N2 O4
    SMILES:COC(=O)CC=CNC(=O)C1=CC2=C(CCCC2)NC1=O
    InChi:InChI=1S/C15H18N2O4/c1-21-13(18)7-4-8-16-14(19)11-9-10-5-2-3-6-12(10)17-15(11)20/h4,8-9H,2-3,5-7H2,1H3,(H,16,19)(H,17,20)/b8-4+
    Definition date:2019-07-23
    Last modified:2019-11-22
    Release date:2019-11-27
    Identifier:methyl 4-[(2-oxidanylidene-5,6,7,8-tetrahydro-1~{H}-quinolin-3-yl)carbonylamino]but-3-enoate
    O O O O O N H N H H 3 C N H
    L6E
    Name:[2-(methylamino)-2-oxidanylidene-ethyl] (~{E})-4-[(2-oxidanylidene-5,6,7,8-tetrahydro-1~{H}-quinolin-3-yl)carbonylamino]but-2-enoate
    Formula:C17 H21 N3 O5
    SMILES:CNC(=O)COC(=O)C=CCNC(=O)C1=CC2=C(CCCC2)NC1=O
    InChi:InChI=1S/C17H21N3O5/c1-18-14(21)10-25-15(22)7-4-8-19-16(23)12-9-11-5-2-3-6-13(11)20-17(12)24/h4,7,9H,2-3,5-6,8,10H2,1H3,(H,18,21)(H,19,23)(H,20,24)/b7-4+
    Definition date:2019-07-23
    Last modified:2019-11-22
    Release date:2019-11-27
    Identifier:[2-(methylamino)-2-oxidanylidene-ethyl] (~{E})-4-[(2-oxidanylidene-5,6,7,8-tetrahydro-1~{H}-quinolin-3-yl)carbonylamino]but-2-enoate
    O NH N H O O O O O HN NH O
    L6H
    Name:[2-[3-(cyclooct-4-en-1-yloxycarbonylamino)propylamino]-2-oxidanylidene-ethyl] (~{E})-4-[(2-oxidanylidene-5,6,7,8-tetrahydro-1~{H}-quinolin-3-yl)carbonylamino]but-2-enoate
    Formula:C28 H38 N4 O7
    SMILES:O=C(COC(=O)C=CCNC(=O)C1=CC2=C(CCCC2)NC1=O)NCCCNC(=O)O[CH]3CCCC=CCC3
    InChi:InChI=1S/C28H38N4O7/c33-24(29-16-9-17-31-28(37)39-21-11-4-2-1-3-5-12-21)19-38-25(34)14-8-15-30-26(35)22-18-20-10-6-7-13-23(20)32-27(22)36/h1-2,8,14,18,21H,3-7,9-13,15-17,19H2,(H,29,33)(H,30,35)(H,31,37)(H,32,36)/b2-1?,14-8+/t21-/m1/s1
    Definition date:2019-07-23
    Last modified:2019-11-22
    Release date:2019-11-27
    Identifier:[2-[3-(cyclooct-4-en-1-yloxycarbonylamino)propylamino]-2-oxidanylidene-ethyl] (~{E})-4-[(2-oxidanylidene-5,6,7,8-tetrahydro-1~{H}-quinolin-3-yl)carbonylamino]but-2-enoate
    O O OH HO HO OH O
    M55
    Name:Benzyl D-glucuronoate
    Formula:C13 H16 O7
    SMILES:O[CH]1O[CH]([CH](O)[CH](O)[CH]1O)C(=O)OCc2ccccc2
    InChi:InChI=1S/C13H16O7/c14-8-9(15)11(20-12(17)10(8)16)13(18)19-6-7-4-2-1-3-5-7/h1-5,8-12,14-17H,6H2/t8-,9-,10+,11-,12-/m0/s1
    Definition date:2019-10-03
    Last modified:2019-11-22
    Release date:2019-11-27
    Identifier:(phenylmethyl) (2~{S},3~{S},4~{S},5~{R},6~{S})-3,4,5,6-tetrakis(oxidanyl)oxane-2-carboxylate
    H 3 C CH 3 N N N N N O O N CH 3
    MVE
    Name:cyclopropyl-[4-[6-[5-(4-ethoxy-1-propan-2-yl-piperidin-4-yl)pyridin-2-yl]pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone
    Formula:C30 H40 N6 O2
    SMILES:CCOC1(CCN(CC1)C(C)C)c2ccc(nc2)c3cn4nccc(N5CCN(CC5)C(=O)C6CC6)c4c3
    InChi:InChI=1S/C30H40N6O2/c1-4-38-30(10-13-33(14-11-30)22(2)3)25-7-8-26(31-20-25)24-19-28-27(9-12-32-36(28)21-24)34-15-17-35(18-16-34)29(37)23-5-6-23/h7-9,12,19-23H,4-6,10-11,13-18H2,1-3H3
    Definition date:2019-10-24
    Last modified:2019-11-22
    Release date:2019-11-27
    Identifier:cyclopropyl-[4-[6-[5-(4-ethoxy-1-propan-2-yl-piperidin-4-yl)pyridin-2-yl]pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone
    CH 3 H 3 C H 3 C F N N N N O N HN N
    NJV
    Name:5-(4-cyclopropyl-1H-imidazol-1-yl)-2-fluoro-4-methyl-N-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}benzamide
    Formula:C24 H24 F N7 O
    SMILES:c3(cc(c(n2cc(C1CC1)nc2)cc3C(Nc4nc(ccc4)c5n(cnn5)C(C)C)=O)C)F
    InChi:InChI=1S/C24H24FN7O/c1-14(2)32-13-27-30-23(32)19-5-4-6-22(28-19)29-24(33)17-10-21(15(3)9-18(17)25)31-11-20(26-12-31)16-7-8-16/h4-6,9-14,16H,7-8H2,1-3H3,(H,28,29,33)
    Synonyms:Selonsertib, GS-4997
    Definition date:2019-05-15
    Last modified:2019-11-22
    Release date:2019-11-27
    Identifier:5-(4-cyclopropyl-1H-imidazol-1-yl)-2-fluoro-4-methyl-N-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}benzamide
    O O N N N N CH 3 N H
    NKJ
    Name:(19S)-19-methyl-16,17,18,19-tetrahydro-8,4-(azeno)[1,2,4]triazolo[4,3-f][1,6,13]benzoxadiazacyclohexadecin-10(9H)-one
    Formula:C19 H19 N5 O2
    SMILES:c3cc4NC(=O)c1ccccc1OCCCC(C)n2c(nnc2)c(c3)n4
    InChi:InChI=1S/C19H19N5O2/c1-13-6-5-11-26-16-9-3-2-7-14(16)19(25)22-17-10-4-8-15(21-17)18-23-20-12-24(13)18/h2-4,7-10,12-13H,5-6,11H2,1H3,(H,21,22,25)/t13-/m0/s1
    Definition date:2019-05-16
    Last modified:2019-11-22
    Release date:2019-11-27
    Identifier:(19S)-19-methyl-16,17,18,19-tetrahydro-8,4-(azeno)[1,2,4]triazolo[4,3-f][1,6,13]benzoxadiazacyclohexadecin-10(9H)-one
    H 3 C OH O O
    OVM
    Name:3-methoxybenzoic acid
    Formula:C8 H8 O3
    SMILES:C(O)(c1cccc(c1)OC)=O
    InChi:InChI=1S/C8H8O3/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H,9,10)
    Definition date:2019-07-09
    Last modified:2019-11-22
    Release date:2019-11-27
    Identifier:3-methoxybenzoic acid
    H 3 C O OH S
    OVP
    Name:3-(methylsulfanyl)benzoic acid
    Formula:C8 H8 O2 S
    SMILES:CSc1cccc(c1)C(O)=O
    InChi:InChI=1S/C8H8O2S/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H,9,10)
    Definition date:2019-07-09
    Last modified:2019-11-22
    Release date:2019-11-27
    Identifier:3-(methylsulfanyl)benzoic acid
    H 3 C O OH
    OVV
    Name:3-methylbenzoic acid
    Formula:C8 H8 O2
    SMILES:Cc1cccc(c1)C(O)=O
    InChi:InChI=1S/C8H8O2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3,(H,9,10)
    Definition date:2019-07-10
    Last modified:2019-11-22
    Release date:2019-11-27
    Identifier:3-methylbenzoic acid
    H 3 C N H O OH
    OW4
    Name:3-(methylamino)benzoic acid
    Formula:C8 H9 N O2
    SMILES:CNc1cccc(c1)C(O)=O
    InChi:InChI=1S/C8H9NO2/c1-9-7-4-2-3-6(5-7)8(10)11/h2-5,9H,1H3,(H,10,11)
    Definition date:2019-07-11
    Last modified:2019-11-22
    Release date:2019-11-27
    Identifier:3-(methylamino)benzoic acid
    CH 3 O OH O
    OW7
    Name:3-ethoxybenzoic acid
    Formula:C9 H10 O3
    SMILES:C(c1cccc(c1)OCC)(O)=O
    InChi:InChI=1S/C9H10O3/c1-2-12-8-5-3-4-7(6-8)9(10)11/h3-6H,2H2,1H3,(H,10,11)
    Definition date:2019-07-11
    Last modified:2019-11-22
    Release date:2019-11-27
    Identifier:3-ethoxybenzoic acid
    CH 3 CH 3 N O O O
    OWA
    Name:methyl [(3R)-1-methyl-5-oxopyrrolidin-3-yl]acetate
    Formula:C8 H13 N O3
    SMILES:C1(N(C)CC(CC(OC)=O)C1)=O
    InChi:InChI=1S/C8H13NO3/c1-9-5-6(3-7(9)10)4-8(11)12-2/h6H,3-5H2,1-2H3/t6-/m1/s1
    Definition date:2019-07-11
    Last modified:2019-11-22
    Release date:2019-11-27
    Identifier:methyl [(3R)-1-methyl-5-oxopyrrolidin-3-yl]acetate
    N N NH 2 N H 2 N N N O HO OH O O OH NH 2
    OZP
    Name:9-(5-{[(3S)-3-amino-3-carboxypropyl][3-(3-carbamoylphenyl)propyl]amino}-5-deoxy-alpha-D-ribofuranosyl)-9H-purin-6-amine
    Formula:C24 H32 N8 O6
    SMILES:c12c(ncnc1n(cn2)C4C(C(C(CN(CCC(N)C(O)=O)CCCc3cccc(c3)C(N)=O)O4)O)O)N
    InChi:InChI=1S/C24H32N8O6/c25-15(24(36)37)6-8-31(7-2-4-13-3-1-5-14(9-13)21(27)35)10-16-18(33)19(34)23(38-16)32-12-30-17-20(26)28-11-29-22(17)32/h1,3,5,9,11-12,15-16,18-19,23,33-34H,2,4,6-8,10,25H2,(H2,27,35)(H,36,37)(H2,26,28,29)/t15-,16+,18+,19+,23-/m0/s1
    Definition date:2019-07-22
    Last modified:2019-11-22
    Release date:2019-11-27
    Identifier:9-(5-{[(3S)-3-amino-3-carboxypropyl][3-(3-carbamoylphenyl)propyl]amino}-5-deoxy-alpha-D-ribofuranosyl)-9H-purin-6-amine
    H 2 N N NH 2 NH 2 N N O HO OH O HO O N N
    P0V
    Name:9-(5-{[(3R)-3-amino-3-carboxypropyl][3-(3-carbamoylphenyl)prop-2-yn-1-yl]amino}-5-deoxy-alpha-D-lyxofuranosyl)-9H-purin-6-amine
    Formula:C24 H28 N8 O6
    SMILES:c1c(cccc1C#CCN(CC4C(C(C(n3c2ncnc(c2nc3)N)O4)O)O)CCC(N)C(O)=O)C(N)=O
    InChi:InChI=1S/C24H28N8O6/c25-15(24(36)37)6-8-31(7-2-4-13-3-1-5-14(9-13)21(27)35)10-16-18(33)19(34)23(38-16)32-12-30-17-20(26)28-11-29-22(17)32/h1,3,5,9,11-12,15-16,18-19,23,33-34H,6-8,10,25H2,(H2,27,35)(H,36,37)(H2,26,28,29)/t15-,16-,18+,19+,23+/m1/s1
    Definition date:2019-07-22
    Last modified:2019-11-22
    Release date:2019-11-27
    Identifier:9-(5-{[(3R)-3-amino-3-carboxypropyl][3-(3-carbamoylphenyl)prop-2-yn-1-yl]amino}-5-deoxy-alpha-D-lyxofuranosyl)-9H-purin-6-amine
    NH 2 O CH 3 NH 2 OH
    Q3S
    Name:(2R,3S)-2,3-diaminobutanoic acid
    Formula:C4 H10 N2 O2
    SMILES:NC(C(O)=O)C(C)N
    InChi:InChI=1S/C4H10N2O2/c1-2(5)3(6)4(7)8/h2-3H,5-6H2,1H3,(H,7,8)/t2-,3+/m0/s1
    Definition date:2019-09-16
    Last modified:2019-11-22
    Release date:2019-11-27
    Identifier:(2R,3S)-2,3-diaminobutanoic acid
    CH O HO N O N
    QLN
    Name:3-[2-[(~{E})-2-(4-ethynylphenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoic acid
    Formula:C25 H16 N2 O3
    SMILES:OC(=O)c1cccc(c1)N2C(=O)c3ccccc3N=C2C=Cc4ccc(cc4)C#C
    InChi:InChI=1S/C25H16N2O3/c1-2-17-10-12-18(13-11-17)14-15-23-26-22-9-4-3-8-21(22)24(28)27(23)20-7-5-6-19(16-20)25(29)30/h1,3-16H,(H,29,30)/b15-14+
    Definition date:2018-12-18
    Last modified:2019-11-22
    Release date:2019-11-27
    Identifier:3-[2-[(~{E})-2-(4-ethynylphenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoic acid
    NH 2 Ru Ru Ru H 2 N NH 2 NH 2 NH 2 NH 2 O NH 2 NH 2 NH 2 NH 2 H 2 N O NH 2 H 2 N H 2 N
    R2R
    Name:ruthenium(6+) azanide pentaamino(oxido)ruthenium (1/4/2)
    Formula:H28 N14 O2 Ru3
    SMILES:N[Ru](N)(N)(N)(O[Ru](N)(N)(N)(N)N)O[Ru](N)(N)(N)(N)N
    InChi:InChI=1S/14H2N.2O.3Ru/h14*1H2
    Definition date:2019-10-02
    Last modified:2019-11-22
    Release date:2019-11-27
    Identifier:ruthenium(6+) azanide pentaamino(oxido)ruthenium (1/4/2)
    OH _ N O + N OH N N O N H O
    UZ0
    Name:2'-azido-2'-deoxyuridine
    Formula:C9 H11 N5 O5
    SMILES:N1(C=CC(NC1=O)=O)C2OC(C(C2N=[N+]=[N-])O)CO
    InChi:InChI=1S/C9H11N5O5/c10-13-12-6-7(17)4(3-15)19-8(6)14-2-1-5(16)11-9(14)18/h1-2,4,6-8,15,17H,3H2,(H,11,16,18)/t4-,6-,7-,8-/m1/s1
    Definition date:2019-01-21
    Last modified:2019-11-22
    Release date:2019-11-27
    Identifier:2'-azido-2'-deoxyuridine