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    O O N H O HN F F N O
    GQU
    Name:(3~{S},3~{a}~{S},6~{a}~{R})-2-[3-[3,5-bis(fluoranyl)phenyl]propanoyl]-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide
    Formula:C24 H29 F2 N3 O4
    SMILES:Fc1cc(F)cc(CCC(=O)N2C[CH]3CCC[CH]3[CH]2C(=O)N[CH](C[CH]4CCNC4=O)C=O)c1
    InChi:InChI=1S/C24H29F2N3O4/c25-17-8-14(9-18(26)11-17)4-5-21(31)29-12-16-2-1-3-20(16)22(29)24(33)28-19(13-30)10-15-6-7-27-23(15)32/h8-9,11,13,15-16,19-20,22H,1-7,10,12H2,(H,27,32)(H,28,33)/t15-,16-,19-,20-,22-/m0/s1
    Definition date:2020-09-23
    Last modified:2020-10-02
    Release date:2020-10-07
    Identifier:(3~{S},3~{a}~{S},6~{a}~{R})-2-[3-[3,5-bis(fluoranyl)phenyl]propanoyl]-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide
    H 3 C CH 3 O O Cl OH
    VZ7
    Name:2-(3-chlorophenyl)-2-methylpropyl hydrogen carbonate
    Formula:C11 H13 Cl O3
    SMILES:CC(C)(c1cccc(c1)Cl)COC(=O)O
    InChi:InChI=1S/C11H13ClO3/c1-11(2,7-15-10(13)14)8-4-3-5-9(12)6-8/h3-6H,7H2,1-2H3,(H,13,14)
    Definition date:2020-09-23
    Last modified:2020-09-25
    Release date:2020-09-30
    Identifier:2-(3-chlorophenyl)-2-methylpropyl hydrogen carbonate
    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
    N H CH 3 O F O OH
    VVD
    Name:5-(acetylamino)-2-fluorobenzoic acid
    Formula:C9 H8 F N O3
    SMILES:N(c1ccc(F)c(c1)C(=O)O)C(C)=O
    InChi:InChI=1S/C9H8FNO3/c1-5(12)11-6-2-3-8(10)7(4-6)9(13)14/h2-4H,1H3,(H,11,12)(H,13,14)
    Definition date:2020-09-17
    Last modified:2020-09-25
    Release date:2020-09-30
    Identifier:5-(acetylamino)-2-fluorobenzoic acid
    N H CH 3 S O O F
    VVG
    Name:N-(2-fluorophenyl)ethanesulfonamide
    Formula:C8 H10 F N O2 S
    SMILES:N(c1ccccc1F)S(CC)(=O)=O
    InChi:InChI=1S/C8H10FNO2S/c1-2-13(11,12)10-8-6-4-3-5-7(8)9/h3-6,10H,2H2,1H3
    Definition date:2020-09-17
    Last modified:2020-09-25
    Release date:2020-09-30
    Identifier:N-(2-fluorophenyl)ethanesulfonamide
    N CH 3 S O O CH 3
    VVJ
    Name:N-cycloheptyl-N-methylmethanesulfonamide
    Formula:C9 H19 N O2 S
    SMILES:N(S(=O)(=O)C)(C1CCCCCC1)C
    InChi:InChI=1S/C9H19NO2S/c1-10(13(2,11)12)9-7-5-3-4-6-8-9/h9H,3-8H2,1-2H3
    Definition date:2020-09-17
    Last modified:2020-09-25
    Release date:2020-09-30
    Identifier:N-cycloheptyl-N-methylmethanesulfonamide
    NH O O S NH 2
    VVM
    Name:4-amino-N-phenylbenzene-1-sulfonamide
    Formula:C12 H12 N2 O2 S
    SMILES:Nc1ccc(cc1)S(=O)(=O)Nc2ccccc2
    InChi:InChI=1S/C12H12N2O2S/c13-10-6-8-12(9-7-10)17(15,16)14-11-4-2-1-3-5-11/h1-9,14H,13H2
    Definition date:2020-09-17
    Last modified:2020-09-25
    Release date:2020-09-30
    Identifier:4-amino-N-phenylbenzene-1-sulfonamide
    N H H 3 C O
    VVP
    Name:4-methoxy-1H-indole
    Formula:C9 H9 N O
    SMILES:n1ccc2c1cccc2OC
    InChi:InChI=1S/C9H9NO/c1-11-9-4-2-3-8-7(9)5-6-10-8/h2-6,10H,1H3
    Definition date:2020-09-17
    Last modified:2020-09-25
    Release date:2020-09-30
    Identifier:4-methoxy-1H-indole
    N O O
    VVY
    Name:2-phenoxy-1-(pyrrolidin-1-yl)ethan-1-one
    Formula:C12 H15 N O2
    SMILES:N1(CCCC1)C(=O)COc2ccccc2
    InChi:InChI=1S/C12H15NO2/c14-12(13-8-4-5-9-13)10-15-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2
    Definition date:2020-09-17
    Last modified:2020-09-25
    Release date:2020-09-30
    Identifier:2-phenoxy-1-(pyrrolidin-1-yl)ethan-1-one
    N CH 3 O O NH 2
    VW1
    Name:(2S)-2-(4-cyanophenoxy)propanamide
    Formula:C10 H10 N2 O2
    SMILES:N#Cc1ccc(OC(C(=O)N)C)cc1
    InChi:InChI=1S/C10H10N2O2/c1-7(10(12)13)14-9-4-2-8(6-11)3-5-9/h2-5,7H,1H3,(H2,12,13)
    Definition date:2020-09-17
    Last modified:2020-09-25
    Release date:2020-09-30
    Identifier:(2S)-2-(4-cyanophenoxy)propanamide
    NH 2 CH 3 S O O
    VW4
    Name:(2S)-2-phenylpropane-1-sulfonamide
    Formula:C9 H13 N O2 S
    SMILES:NS(CC(c1ccccc1)C)(=O)=O
    InChi:InChI=1S/C9H13NO2S/c1-8(7-13(10,11)12)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H2,10,11,12)/t8-/m1/s1
    Definition date:2020-09-17
    Last modified:2020-09-25
    Release date:2020-09-30
    Identifier:(2S)-2-phenylpropane-1-sulfonamide
    NH CH 3 H 3 C O N H
    VW7
    Name:N-(8-methyl-1,2,3,4-tetrahydroquinolin-5-yl)acetamide
    Formula:C12 H16 N2 O
    SMILES:N(c2ccc(C)c1NCCCc12)C(C)=O
    InChi:InChI=1S/C12H16N2O/c1-8-5-6-11(14-9(2)15)10-4-3-7-13-12(8)10/h5-6,13H,3-4,7H2,1-2H3,(H,14,15)
    Definition date:2020-09-17
    Last modified:2020-09-25
    Release date:2020-09-30
    Identifier:N-(8-methyl-1,2,3,4-tetrahydroquinolin-5-yl)acetamide
    NH H 3 C H 3 C F
    VWA
    Name:(1S)-1-(4-fluorophenyl)-N-methylethan-1-amine
    Formula:C9 H12 F N
    SMILES:N(C)C(c1ccc(cc1)F)C
    InChi:InChI=1S/C9H12FN/c1-7(11-2)8-3-5-9(10)6-4-8/h3-7,11H,1-2H3/t7-/m0/s1
    Definition date:2020-09-17
    Last modified:2020-09-25
    Release date:2020-09-30
    Identifier:(1S)-1-(4-fluorophenyl)-N-methylethan-1-amine
    CH 3 S O O HO
    VWD
    Name:(1R)-2-(methylsulfonyl)-1-phenylethan-1-ol
    Formula:C9 H12 O3 S
    SMILES:c1(C(CS(C)(=O)=O)O)ccccc1
    InChi:InChI=1S/C9H12O3S/c1-13(11,12)7-9(10)8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3/t9-/m0/s1
    Definition date:2020-09-17
    Last modified:2020-09-25
    Release date:2020-09-30
    Identifier:(1R)-2-(methylsulfonyl)-1-phenylethan-1-ol
    HN OH O N
    VWG
    Name:N-hydroxyquinoline-2-carboxamide
    Formula:C10 H8 N2 O2
    SMILES:N(O)C(=O)c1ccc2c(n1)cccc2
    InChi:InChI=1S/C10H8N2O2/c13-10(12-14)9-6-5-7-3-1-2-4-8(7)11-9/h1-6,14H,(H,12,13)
    Definition date:2020-09-17
    Last modified:2020-09-25
    Release date:2020-09-30
    Identifier:N-hydroxyquinoline-2-carboxamide
    N H N H CH 3 H 3 C N
    VWJ
    Name:N-(propan-2-yl)-1H-benzimidazol-2-amine
    Formula:C10 H13 N3
    SMILES:N(c1nc2c(n1)cccc2)C(C)C
    InChi:InChI=1S/C10H13N3/c1-7(2)11-10-12-8-5-3-4-6-9(8)13-10/h3-7H,1-2H3,(H2,11,12,13)
    Definition date:2020-09-17
    Last modified:2020-09-25
    Release date:2020-09-30
    Identifier:N-(propan-2-yl)-1H-benzimidazol-2-amine
    N H 3 C O OH O OH
    VWM
    Name:(3R)-1-acetyl-3-hydroxypiperidine-3-carboxylic acid
    Formula:C8 H13 N O4
    SMILES:N1(CCCC(O)(C1)C(=O)O)C(C)=O
    InChi:InChI=1S/C8H13NO4/c1-6(10)9-4-2-3-8(13,5-9)7(11)12/h13H,2-5H2,1H3,(H,11,12)/t8-/m1/s1
    Definition date:2020-09-17
    Last modified:2020-09-25
    Release date:2020-09-30
    Identifier:(3R)-1-acetyl-3-hydroxypiperidine-3-carboxylic acid
    N CH 3 O O S O O
    VWV
    Name:ethyl (1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)acetate
    Formula:C8 H15 N O4 S
    SMILES:N1(CC(OCC)=O)CCS(CC1)(=O)=O
    InChi:InChI=1S/C8H15NO4S/c1-2-13-8(10)7-9-3-5-14(11,12)6-4-9/h2-7H2,1H3
    Definition date:2020-09-17
    Last modified:2020-09-25
    Release date:2020-09-30
    Identifier:ethyl (1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)acetate
    N H H 3 C CH 3 O NH S O O
    VWY
    Name:N-ethyl-4-[(methylsulfonyl)amino]benzamide
    Formula:C10 H14 N2 O3 S
    SMILES:N(CC)C(c1ccc(cc1)NS(C)(=O)=O)=O
    InChi:InChI=1S/C10H14N2O3S/c1-3-11-10(13)8-4-6-9(7-5-8)12-16(2,14)15/h4-7,12H,3H2,1-2H3,(H,11,13)
    Definition date:2020-09-17
    Last modified:2020-09-25
    Release date:2020-09-30
    Identifier:N-ethyl-4-[(methylsulfonyl)amino]benzamide
    N CH 3 O S N
    VX4
    Name:[(4S)-4-methylazepan-1-yl](1,3-thiazol-4-yl)methanone
    Formula:C11 H16 N2 O S
    SMILES:N2(C(c1cscn1)=O)CCC(C)CCC2
    InChi:InChI=1S/C11H16N2OS/c1-9-3-2-5-13(6-4-9)11(14)10-7-15-8-12-10/h7-9H,2-6H2,1H3/t9-/m0/s1
    Definition date:2020-09-17
    Last modified:2020-09-25
    Release date:2020-09-30
    Identifier:[(4S)-4-methylazepan-1-yl](1,3-thiazol-4-yl)methanone
    NH CH 3 NH 2 O Cl
    VXD
    Name:N-(3-chloro-2-methylphenyl)glycinamide
    Formula:C9 H11 Cl N2 O
    SMILES:N(C(=O)CN)c1cccc(c1C)Cl
    InChi:InChI=1S/C9H11ClN2O/c1-6-7(10)3-2-4-8(6)12-9(13)5-11/h2-4H,5,11H2,1H3,(H,12,13)
    Definition date:2020-09-17
    Last modified:2020-09-25
    Release date:2020-09-30
    Identifier:N-(3-chloro-2-methylphenyl)glycinamide
    O HO O H 3 C N
    VXG
    Name:(3S,4S)-1-acetyl-4-phenylpyrrolidine-3-carboxylic acid
    Formula:C13 H15 N O3
    SMILES:N2(C(=O)C)CC(c1ccccc1)C(C2)C(=O)O
    InChi:InChI=1S/C13H15NO3/c1-9(15)14-7-11(12(8-14)13(16)17)10-5-3-2-4-6-10/h2-6,11-12H,7-8H2,1H3,(H,16,17)/t11-,12-/m1/s1
    Definition date:2020-09-17
    Last modified:2020-09-25
    Release date:2020-09-30
    Identifier:(3S,4S)-1-acetyl-4-phenylpyrrolidine-3-carboxylic acid
    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
    OH CH 3
    VTG
    Name:(4-methylphenyl)methanol
    Formula:C8 H10 O
    SMILES:c1(ccc(cc1)C)CO
    InChi:InChI=1S/C8H10O/c1-7-2-4-8(6-9)5-3-7/h2-5,9H,6H2,1H3
    Synonyms:4-methylbenzyl alcohol
    Definition date:2020-09-11
    Last modified:2020-09-18
    Release date:2020-09-23
    Identifier:(4-methylphenyl)methanol
    OH P P O O O O O HO OH O HO OH O NH N
    VQV
    Name:1-(3,5-di-O-phosphono-alpha-L-xylofuranosyl)pyrimidine-2,4(1H,3H)-dione
    Formula:C9 H14 N2 O12 P2
    SMILES:O=C1N(C=CC(=O)N1)C2C(O)C(OP(O)(=O)O)C(COP(O)(O)=O)O2
    InChi:InChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(14)10-5)8-6(13)7(23-25(18,19)20)4(22-8)3-21-24(15,16)17/h1-2,4,6-8,13H,3H2,(H,10,12,14)(H2,15,16,17)(H2,18,19,20)/t4-,6-,7+,8+/m0/s1
    Definition date:2020-09-08
    Last modified:2020-09-18
    Release date:2020-09-23
    Identifier:1-(3,5-di-O-phosphono-alpha-L-xylofuranosyl)pyrimidine-2,4(1H,3H)-dione
    169963
    PDB entries from 2020-10-14