| W8D | Name: | 3-{[(2R)-oxolan-2-yl]methyl}-3H-purin-6-amine | Formula: | C10 H13 N5 O | SMILES: | C3(CN2C=NC(=C1N=CN=C12)N)CCCO3 | InChi: | InChI=1S/C10H13N5O/c11-9-8-10(13-5-12-8)15(6-14-9)4-7-2-1-3-16-7/h5-7H,1-4,11H2/t7-/m1/s1 | Definition date: | 2020-09-29 | Last modified: | 2020-12-11 | Release date: | 2020-12-16 | Identifier: | 3-{[(2R)-oxolan-2-yl]methyl}-3H-purin-6-amine |
|
| W8J | Name: | 3-{3-[(3S)-oxolan-3-yl]propyl}-3H-purin-6-amine | Formula: | C12 H17 N5 O | SMILES: | C(CN2C=NC(=C1N=CN=C12)N)CC3COCC3 | InChi: | InChI=1S/C12H17N5O/c13-11-10-12(15-7-14-10)17(8-16-11)4-1-2-9-3-5-18-6-9/h7-9H,1-6,13H2/t9-/m0/s1 | Definition date: | 2020-09-29 | Last modified: | 2020-12-11 | Release date: | 2020-12-16 | Identifier: | 3-{3-[(3S)-oxolan-3-yl]propyl}-3H-purin-6-amine |
|
| X7V | Name: | N-([1,1'-biphenyl]-4-yl)-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]furan-2-carboxamide | Formula: | C32 H27 N3 O3 | SMILES: | c5(C(N(C(=O)c1ccco1)c3ccc(c2ccccc2)cc3)C(NC(C)c4ccccc4)=O)cnccc5 | InChi: | InChI=1S/C32H27N3O3/c1-23(24-10-4-2-5-11-24)34-31(36)30(27-14-8-20-33-22-27)35(32(37)29-15-9-21-38-29)28-18-16-26(17-19-28)25-12-6-3-7-13-25/h2-23,30H,1H3,(H,34,36)/t23-,30+/m0/s1 | Definition date: | 2020-12-03 | Last modified: | 2020-12-11 | Release date: | 2020-12-16 | Identifier: | N-([1,1'-biphenyl]-4-yl)-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]furan-2-carboxamide |
|
| WTA | Name: | 5'-O-[(S)-ethoxy(hydroxy)phosphoryl]adenosine | Formula: | C12 H18 N5 O7 P | SMILES: | C1(C(C(O)C(COP(O)(=O)OCC)O1)O)n2c3c(nc2)c(N)ncn3 | InChi: | InChI=1S/C12H18N5O7P/c1-2-22-25(20,21)23-3-6-8(18)9(19)12(24-6)17-5-16-7-10(13)14-4-15-11(7)17/h4-6,8-9,12,18-19H,2-3H2,1H3,(H,20,21)(H2,13,14,15)/t6-,8-,9-,12-/m1/s1 | Definition date: | 2020-11-06 | Last modified: | 2020-12-11 | Release date: | 2020-12-16 | Identifier: | 5'-O-[(S)-ethoxy(hydroxy)phosphoryl]adenosine |
|
| RQS | Name: | N-{[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl}benzamide | Formula: | C20 H16 N4 O | SMILES: | n1cnc(c2c1ncc2)c4ccc(CNC(=O)c3ccccc3)cc4 | InChi: | InChI=1S/C20H16N4O/c25-20(16-4-2-1-3-5-16)22-12-14-6-8-15(9-7-14)18-17-10-11-21-19(17)24-13-23-18/h1-11,13H,12H2,(H,22,25)(H,21,23,24) | Definition date: | 2020-02-24 | Last modified: | 2020-12-11 | Release date: | 2020-12-16 | Identifier: | N-{[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl}benzamide |
|
| WB1 | Name: | 6-methyl-1H-indole-3-carboxylic acid | Formula: | C10 H9 N O2 | SMILES: | c1c(C)ccc2c(C(O)=O)cnc12 | InChi: | InChI=1S/C10H9NO2/c1-6-2-3-7-8(10(12)13)5-11-9(7)4-6/h2-5,11H,1H3,(H,12,13) | Definition date: | 2020-10-05 | Last modified: | 2020-12-11 | Release date: | 2020-12-16 | Identifier: | 6-methyl-1H-indole-3-carboxylic acid |
|
| S5M | Name: | 4-~{tert}-butyl-~{N}-[[4-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl]benzamide | Formula: | C24 H24 N4 O | SMILES: | CC(C)(C)c1ccc(cc1)C(=O)NCc2ccc(cc2)c3ncnc4[nH]ccc34 | InChi: | InChI=1S/C24H24N4O/c1-24(2,3)19-10-8-18(9-11-19)23(29)26-14-16-4-6-17(7-5-16)21-20-12-13-25-22(20)28-15-27-21/h4-13,15H,14H2,1-3H3,(H,26,29)(H,25,27,28) | Definition date: | 2020-03-04 | Last modified: | 2020-12-11 | Release date: | 2020-12-16 | Identifier: | 4-~{tert}-butyl-~{N}-[[4-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl]benzamide |
|
| SZW | Name: | 3-[(3~{S})-3-[(7-chloranyl-9~{H}-pyrimido[4,5-b]indol-4-yl)-methyl-amino]piperidin-1-yl]propanenitrile | Formula: | C19 H21 Cl N6 | SMILES: | CN([CH]1CCCN(CCC#N)C1)c2ncnc3[nH]c4cc(Cl)ccc4c23 | InChi: | InChI=1S/C19H21ClN6/c1-25(14-4-2-8-26(11-14)9-3-7-21)19-17-15-6-5-13(20)10-16(15)24-18(17)22-12-23-19/h5-6,10,12,14H,2-4,8-9,11H2,1H3,(H,22,23,24)/t14-/m0/s1 | Definition date: | 2020-12-08 | Last modified: | 2020-12-11 | Release date: | 2020-12-16 | Identifier: | 3-[(3~{S})-3-[(7-chloranyl-9~{H}-pyrimido[4,5-b]indol-4-yl)-methyl-amino]piperidin-1-yl]propanenitrile |
|
| U8G | Name: | (4-{2-[(tert-butoxycarbonyl)amino]-3-methoxy-3-oxopropyl}-1,3-dimethyl-2,3-dihydro-1H-imidazol-2-yl)rhodium | Formula: | C14 H23 N3 O4 Rh | SMILES: | c1([Rh])n(C)c(c[n+]1C)CC(C(OC)=O)NC(OC(C)(C)C)=O | InChi: | InChI=1S/C14H23N3O4.Rh/c1-14(2,3)21-13(19)15-11(12(18)20-6)7-10-8-16(4)9-17(10)5 | Definition date: | 2020-05-04 | Last modified: | 2020-12-11 | Release date: | 2020-12-16 | Identifier: | (5-{2-[(tert-butoxycarbonyl)amino]-3-methoxy-3-oxopropyl}-1,3-dimethyl-1H-imidazol-3-ium-2-yl)rhodium |
|
| O78 | Name: | (3Z)-3-iminocyclohex-1-ene-1-carboxylic acid | Formula: | C7 H9 N O2 | SMILES: | C1CC(=N)C=C(C1)C(=O)O | InChi: | InChI=1S/C7H9NO2/c8-6-3-1-2-5(4-6)7(9)10/h4,8H,1-3H2,(H,9,10)/b8-6- | Definition date: | 2019-12-11 | Last modified: | 2020-12-11 | Release date: | 2020-12-16 | Identifier: | (3Z)-3-iminocyclohex-1-ene-1-carboxylic acid |
|
| ORW | Name: | 1-[(2~{S})-1-[[iminomethyl(methyl)amino]-methyl-amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-3-(phenylmethyl)urea | Formula: | C17 H27 N5 O2 | SMILES: | CC(C)C[CH](NC(=O)NCc1ccccc1)C(=O)N(C)N(C)C=N | InChi: | InChI=1S/C17H27N5O2/c1-13(2)10-15(16(23)22(4)21(3)12-18)20-17(24)19-11-14-8-6-5-7-9-14/h5-9,12-13,15,18H,10-11H2,1-4H3,(H2,19,20,24)/b18-12-/t15-/m0/s1 | Definition date: | 2020-04-01 | Last modified: | 2020-12-11 | Release date: | 2020-12-16 | Identifier: | 1-[(2~{S})-1-[[iminomethyl(methyl)amino]-methyl-amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-3-(phenylmethyl)urea |
|
| G6C | Name: | 5-oxidanyl-1H-pyridin-2-one | Formula: | C5 H5 N O2 | SMILES: | OC1=CNC(=O)C=C1 | InChi: | InChI=1S/C5H5NO2/c7-4-1-2-5(8)6-3-4/h1-3,7H,(H,6,8) | Definition date: | 2020-07-31 | Last modified: | 2020-12-11 | Release date: | 2020-12-16 | Identifier: | 5-oxidanyl-1~{H}-pyridin-2-one |
|
| EDF | Name: | (3~{R})-1,3-dimethyl-6-[(4-phenylpyrimidin-2-yl)amino]-4-propan-2-yl-3~{H}-quinoxalin-2-one | Formula: | C23 H25 N5 O | SMILES: | CC(C)N1[CH](C)C(=O)N(C)c2ccc(Nc3nccc(n3)c4ccccc4)cc12 | InChi: | InChI=1S/C23H25N5O/c1-15(2)28-16(3)22(29)27(4)20-11-10-18(14-21(20)28)25-23-24-13-12-19(26-23)17-8-6-5-7-9-17/h5-16H,1-4H3,(H,24,25,26)/t16-/m1/s1 | Definition date: | 2019-12-13 | Last modified: | 2020-12-11 | Release date: | 2020-12-16 | Identifier: | (3~{R})-1,3-dimethyl-6-[(4-phenylpyrimidin-2-yl)amino]-4-propan-2-yl-3~{H}-quinoxalin-2-one |
|
| EE6 | Name: | 3-[3-(3-methylbut-2-enyl)-4-oxidanyl-phenyl]-5-[[3-(3-methylbut-2-enyl)-4-oxidanyl-phenyl]methylidene]-4-oxidanyl-furan-2-one | Formula: | C27 H28 O5 | SMILES: | CC(C)=CCc1cc(ccc1O)C=C2OC(=O)C(=C2O)c3ccc(O)c(CC=C(C)C)c3 | InChi: | InChI=1S/C27H28O5/c1-16(2)5-8-19-13-18(7-11-22(19)28)14-24-26(30)25(27(31)32-24)21-10-12-23(29)20(15-21)9-6-17(3)4/h5-7,10-15,28-30H,8-9H2,1-4H3 | Definition date: | 2019-12-13 | Last modified: | 2020-12-11 | Release date: | 2020-12-16 | Identifier: | 3-[3-(3-methylbut-2-enyl)-4-oxidanyl-phenyl]-5-[[3-(3-methylbut-2-enyl)-4-oxidanyl-phenyl]methylidene]-4-oxidanyl-furan-2-one |
|
| EE9 | Name: | (3~{R})-6-[(4-isoquinolin-4-ylpyrimidin-2-yl)amino]-1,3-dimethyl-4-propan-2-yl-3~{H}-quinoxalin-2-one | Formula: | C26 H26 N6 O | SMILES: | CC(C)N1[CH](C)C(=O)N(C)c2ccc(Nc3nccc(n3)c4cncc5ccccc45)cc12 | InChi: | InChI=1S/C26H26N6O/c1-16(2)32-17(3)25(33)31(4)23-10-9-19(13-24(23)32)29-26-28-12-11-22(30-26)21-15-27-14-18-7-5-6-8-20(18)21/h5-17H,1-4H3,(H,28,29,30)/t17-/m1/s1 | Definition date: | 2019-12-13 | Last modified: | 2020-12-11 | Release date: | 2020-12-16 | Identifier: | (3~{R})-6-[(4-isoquinolin-4-ylpyrimidin-2-yl)amino]-1,3-dimethyl-4-propan-2-yl-3~{H}-quinoxalin-2-one |
|
| EEL | Name: | (2R)-1-[3-sulfanyl-2-(sulfanylmethyl)propanoyl]pyrrolidine-2-carboxylic acid | Formula: | C9 H15 N O3 S2 | SMILES: | OC(=O)[CH]1CCCN1C(=O)C(CS)CS | InChi: | InChI=1S/C9H15NO3S2/c11-8(6(4-14)5-15)10-3-1-2-7(10)9(12)13/h6-7,14-15H,1-5H2,(H,12,13)/t7-/m1/s1 | Definition date: | 2019-12-16 | Last modified: | 2020-12-11 | Release date: | 2020-12-16 | Identifier: | (2~{R})-1-[3-sulfanyl-2-(sulfanylmethyl)propanoyl]pyrrolidine-2-carboxylic acid |
|
| EEO | Name: | (2R)-1-[(2S)-2-methyl-3-sulfanyl-propanoyl]azepane-2-carboxylic acid | Formula: | C11 H19 N O3 S | SMILES: | C[CH](CS)C(=O)N1CCCCC[CH]1C(O)=O | InChi: | InChI=1S/C11H19NO3S/c1-8(7-16)10(13)12-6-4-2-3-5-9(12)11(14)15/h8-9,16H,2-7H2,1H3,(H,14,15)/t8-,9-/m1/s1 | Definition date: | 2019-12-17 | Last modified: | 2020-12-11 | Release date: | 2020-12-16 | Identifier: | (2~{R})-1-[(2~{S})-2-methyl-3-sulfanyl-propanoyl]azepane-2-carboxylic acid |
|
| EER | Name: | (2R)-1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidine-2-carboxylic acid | Formula: | C10 H17 N O3 S | SMILES: | C[CH](CS)C(=O)N1CCCC[CH]1C(O)=O | InChi: | InChI=1S/C10H17NO3S/c1-7(6-15)9(12)11-5-3-2-4-8(11)10(13)14/h7-8,15H,2-6H2,1H3,(H,13,14)/t7-,8-/m1/s1 | Definition date: | 2019-12-17 | Last modified: | 2020-12-11 | Release date: | 2020-12-16 | Identifier: | (2~{R})-1-[(2~{S})-2-methyl-3-sulfanyl-propanoyl]piperidine-2-carboxylic acid |
|
| EEX | Name: | (1R)-2-[(2S)-2-methyl-3-sulfanyl-propanoyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid | Formula: | C14 H17 N O3 S | SMILES: | C[CH](CS)C(=O)N1CCc2ccccc2[CH]1C(O)=O | InChi: | InChI=1S/C14H17NO3S/c1-9(8-19)13(16)15-7-6-10-4-2-3-5-11(10)12(15)14(17)18/h2-5,9,12,19H,6-8H2,1H3,(H,17,18)/t9-,12-/m1/s1 | Definition date: | 2019-12-17 | Last modified: | 2020-12-11 | Release date: | 2020-12-16 | Identifier: | (1~{R})-2-[(2~{S})-2-methyl-3-sulfanyl-propanoyl]-3,4-dihydro-1~{H}-isoquinoline-1-carboxylic acid |
|
| EF0 | Name: | 1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidine-4-carboxylic acid | Formula: | C10 H17 N O3 S | SMILES: | C[CH](CS)C(=O)N1CCC(CC1)C(O)=O | InChi: | InChI=1S/C10H17NO3S/c1-7(6-15)9(12)11-4-2-8(3-5-11)10(13)14/h7-8,15H,2-6H2,1H3,(H,13,14)/t7-/m1/s1 | Definition date: | 2019-12-17 | Last modified: | 2020-12-11 | Release date: | 2020-12-16 | Identifier: | 1-[(2~{S})-2-methyl-3-sulfanyl-propanoyl]piperidine-4-carboxylic acid |
|
| EF9 | Name: | (3S)-1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidine-3-carboxylic acid | Formula: | C10 H17 N O3 S | SMILES: | C[CH](CS)C(=O)N1CCC[CH](C1)C(O)=O | InChi: | InChI=1S/C10H17NO3S/c1-7(6-15)9(12)11-4-2-3-8(5-11)10(13)14/h7-8,15H,2-6H2,1H3,(H,13,14)/t7-,8+/m1/s1 | Definition date: | 2019-12-17 | Last modified: | 2020-12-11 | Release date: | 2020-12-16 | Identifier: | (3~{S})-1-[(2~{S})-2-methyl-3-sulfanyl-propanoyl]piperidine-3-carboxylic acid |
|
| EFF | Name: | 1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidine-4-carboxamide | Formula: | C10 H18 N2 O2 S | SMILES: | C[CH](CS)C(=O)N1CCC(CC1)C(N)=O | InChi: | InChI=1S/C10H18N2O2S/c1-7(6-15)10(14)12-4-2-8(3-5-12)9(11)13/h7-8,15H,2-6H2,1H3,(H2,11,13)/t7-/m1/s1 | Definition date: | 2019-12-17 | Last modified: | 2020-12-11 | Release date: | 2020-12-16 | Identifier: | 1-[(2~{S})-2-methyl-3-sulfanyl-propanoyl]piperidine-4-carboxamide |
|
| EFR | Name: | 2-[1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidin-4-yl]ethanamide | Formula: | C11 H20 N2 O2 S | SMILES: | C[CH](CS)C(=O)N1CCC(CC1)CC(N)=O | InChi: | InChI=1S/C11H20N2O2S/c1-8(7-16)11(15)13-4-2-9(3-5-13)6-10(12)14/h8-9,16H,2-7H2,1H3,(H2,12,14)/t8-/m1/s1 | Definition date: | 2019-12-17 | Last modified: | 2020-12-11 | Release date: | 2020-12-16 | Identifier: | 2-[1-[(2~{S})-2-methyl-3-sulfanyl-propanoyl]piperidin-4-yl]ethanamide |
|
| EG0 | Name: | 2-[1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidin-4-yl]ethanoic acid | Formula: | C11 H19 N O3 S | SMILES: | C[CH](CS)C(=O)N1CCC(CC1)CC(O)=O | InChi: | InChI=1S/C11H19NO3S/c1-8(7-16)11(15)12-4-2-9(3-5-12)6-10(13)14/h8-9,16H,2-7H2,1H3,(H,13,14)/t8-/m1/s1 | Definition date: | 2019-12-17 | Last modified: | 2020-12-11 | Release date: | 2020-12-16 | Identifier: | 2-[1-[(2~{S})-2-methyl-3-sulfanyl-propanoyl]piperidin-4-yl]ethanoic acid |
|
| EKX | Name: | (1S)-2-[(2S)-2-methyl-3-sulfanyl-propanoyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid | Formula: | C14 H17 N O3 S | SMILES: | C[CH](CS)C(=O)N1CCc2ccccc2[CH]1C(O)=O | InChi: | InChI=1S/C14H17NO3S/c1-9(8-19)13(16)15-7-6-10-4-2-3-5-11(10)12(15)14(17)18/h2-5,9,12,19H,6-8H2,1H3,(H,17,18)/t9-,12+/m1/s1 | Definition date: | 2020-01-09 | Last modified: | 2020-12-11 | Release date: | 2020-12-16 | Identifier: | (1~{S})-2-[(2~{S})-2-methyl-3-sulfanyl-propanoyl]-3,4-dihydro-1~{H}-isoquinoline-1-carboxylic acid |
|