| N7K | Name: | ~{N}-[3-[4-[[1-(phenylmethyl)indazol-5-yl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide | Formula: | C29 H25 N7 O | SMILES: | CCC(=O)Nc1cccc(c1)c2c[nH]c3ncnc(Nc4ccc5n(Cc6ccccc6)ncc5c4)c23 | InChi: | InChI=1S/C29H25N7O/c1-2-26(37)34-22-10-6-9-20(13-22)24-16-30-28-27(24)29(32-18-31-28)35-23-11-12-25-21(14-23)15-33-36(25)17-19-7-4-3-5-8-19/h3-16,18H,2,17H2,1H3,(H,34,37)(H2,30,31,32,35) | Definition date: | 2019-11-14 | Last modified: | 2020-09-25 | Release date: | 2020-09-30 | Identifier: | ~{N}-[3-[4-[[1-(phenylmethyl)indazol-5-yl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide |
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| N7Q | Name: | ~{N}-[5-[4-[[3-chloranyl-4-(pyridin-2-ylmethoxy)phenyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-(2-hydroxyethyloxy)phenyl]propanamide | Formula: | C29 H27 Cl N6 O4 | SMILES: | CCC(=O)Nc1cc(ccc1OCCO)c2c[nH]c3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23 | InChi: | InChI=1S/C29H27ClN6O4/c1-2-26(38)36-23-13-18(6-8-25(23)39-12-11-37)21-15-32-28-27(21)29(34-17-33-28)35-19-7-9-24(22(30)14-19)40-16-20-5-3-4-10-31-20/h3-10,13-15,17,37H,2,11-12,16H2,1H3,(H,36,38)(H2,32,33,34,35) | Definition date: | 2019-11-14 | Last modified: | 2020-09-25 | Release date: | 2020-09-30 | Identifier: | ~{N}-[5-[4-[[3-chloranyl-4-(pyridin-2-ylmethoxy)phenyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-(2-hydroxyethyloxy)phenyl]propanamide |
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| N7W | Name: | ~{N}-[5-[4-[[3-chloranyl-4-(pyridin-2-ylmethoxy)phenyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-[2-(dimethylamino)ethoxy]phenyl]propanamide | Formula: | C31 H32 Cl N7 O3 | SMILES: | CCC(=O)Nc1cc(ccc1OCCN(C)C)c2c[nH]c3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23 | InChi: | InChI=1S/C31H32ClN7O3/c1-4-28(40)38-25-15-20(8-10-27(25)41-14-13-39(2)3)23-17-34-30-29(23)31(36-19-35-30)37-21-9-11-26(24(32)16-21)42-18-22-7-5-6-12-33-22/h5-12,15-17,19H,4,13-14,18H2,1-3H3,(H,38,40)(H2,34,35,36,37) | Definition date: | 2019-11-14 | Last modified: | 2020-09-25 | Release date: | 2020-09-30 | Identifier: | ~{N}-[5-[4-[[3-chloranyl-4-(pyridin-2-ylmethoxy)phenyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-[2-(dimethylamino)ethoxy]phenyl]propanamide |
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| N7Z | Name: | ~{N}-[5-[4-[[3-chloranyl-4-(pyridin-2-ylmethoxy)phenyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-(3-oxidanylpropoxy)phenyl]propanamide | Formula: | C30 H29 Cl N6 O4 | SMILES: | CCC(=O)Nc1cc(ccc1OCCCO)c2c[nH]c3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23 | InChi: | InChI=1S/C30H29ClN6O4/c1-2-27(39)37-24-14-19(7-9-26(24)40-13-5-12-38)22-16-33-29-28(22)30(35-18-34-29)36-20-8-10-25(23(31)15-20)41-17-21-6-3-4-11-32-21/h3-4,6-11,14-16,18,38H,2,5,12-13,17H2,1H3,(H,37,39)(H2,33,34,35,36) | Definition date: | 2019-11-14 | Last modified: | 2020-09-25 | Release date: | 2020-09-30 | Identifier: | ~{N}-[5-[4-[[3-chloranyl-4-(pyridin-2-ylmethoxy)phenyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-(3-oxidanylpropoxy)phenyl]propanamide |
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| N82 | Name: | ~{N}-[5-[4-[[4-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]phenyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-[2-(dimethylamino)ethoxy]phenyl]propanamide | Formula: | C34 H33 N7 O4 | SMILES: | CCC(=O)Nc1cc(ccc1OCCN(C)C)c2c[nH]c3ncnc(Nc4ccc(CN5C(=O)c6ccccc6C5=O)cc4)c23 | InChi: | InChI=1S/C34H33N7O4/c1-4-29(42)39-27-17-22(11-14-28(27)45-16-15-40(2)3)26-18-35-31-30(26)32(37-20-36-31)38-23-12-9-21(10-13-23)19-41-33(43)24-7-5-6-8-25(24)34(41)44/h5-14,17-18,20H,4,15-16,19H2,1-3H3,(H,39,42)(H2,35,36,37,38) | Definition date: | 2019-11-14 | Last modified: | 2020-09-25 | Release date: | 2020-09-30 | Identifier: | ~{N}-[5-[4-[[4-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]phenyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-[2-(dimethylamino)ethoxy]phenyl]propanamide |
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| 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 |
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| 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 |
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| 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 |
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| 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 |
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| 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 |
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| V0S | Name: | 3-chloro-N-[trans-4-(methylamino)cyclohexyl]-N-{[3-(pyridin-4-yl)phenyl]methyl}-1-benzothiophene-2-carboxamide | Formula: | C28 H28 Cl N3 O S | SMILES: | C5(CCC(N(C(c2c(c1c(cccc1)s2)Cl)=O)Cc3cccc(c3)c4ccncc4)CC5)NC | InChi: | InChI=1S/C28H28ClN3OS/c1-30-22-9-11-23(12-10-22)32(28(33)27-26(29)24-7-2-3-8-25(24)34-27)18-19-5-4-6-21(17-19)20-13-15-31-16-14-20/h2-8,13-17,22-23,30H,9-12,18H2,1H3/t22-,23- | Definition date: | 2020-06-11 | Last modified: | 2020-09-25 | Release date: | 2020-09-30 | Identifier: | 3-chloro-N-[trans-4-(methylamino)cyclohexyl]-N-{[3-(pyridin-4-yl)phenyl]methyl}-1-benzothiophene-2-carboxamide |
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| 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 |
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| 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 |
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| 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 |
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| 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 |
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| 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 |
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| 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 |
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| 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 |
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| T0D | Name: | (2~{S})-~{N}-[(1~{R})-1-[bis($l^{1}-oxidanyl)-methoxy-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{R})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[[2-(3-chlorophenyl)-2-methyl-propoxy]-oxidanylidene-methyl]amino]-4-methyl-pentanamide | Formula: | C26 H38 Cl N3 O9 S | SMILES: | CC(COC(=O)NC(CC(C)C)C(NC(C(OC(C)=O)S(=O)(=O)O)CC1CCNC1=O)=O)(C)c2cc(ccc2)Cl | InChi: | InChI=1S/C26H38ClN3O9S/c1-15(2)11-20(30-25(34)38-14-26(4,5)18-7-6-8-19(27)13-18)23(33)29-21(12-17-9-10-28-22(17)32)24(39-16(3)31)40(35,36)37/h6-8,13,15,17,20-21,24H,9-12,14H2,1-5H3,(H,28,32)(H,29,33)(H,30,34)(H,35,36,37)/t17-,20-,21-,24+/m0/s1 | Definition date: | 2020-03-16 | Last modified: | 2020-09-25 | Release date: | 2020-09-30 | Identifier: | (1R,2S)-1-(acetyloxy)-2-[(N-{[2-(3-chlorophenyl)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
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| 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 |
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| 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 |
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| 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 |
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| 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 |
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| 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 |
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| O72 | Name: | 1,7-naphthyridin-8-amine | Formula: | C8 H7 N3 | SMILES: | Nc1nccc2cccnc12 | InChi: | InChI=1S/C8H7N3/c9-8-7-6(3-5-11-8)2-1-4-10-7/h1-5H,(H2,9,11) | Definition date: | 2020-02-17 | Last modified: | 2020-09-25 | Release date: | 2020-09-30 | Identifier: | 1,7-naphthyridin-8-amine |
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