 | | WKH | | Name: | N~2~-[(1R)-1-(2,4-difluorophenyl)ethyl]-N-ethylglycinamide | | Formula: | C12 H16 F2 N2 O | | SMILES: | Fc1cc(F)ccc1C(C)NCC(=O)NCC | | InChi: | InChI=1S/C12H16F2N2O/c1-3-15-12(17)7-16-8(2)10-5-4-9(13)6-11(10)14/h4-6,8,16H,3,7H2,1-2H3,(H,15,17)/t8-/m1/s1 | | Definition date: | 2022-09-19 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | N~2~-[(1R)-1-(2,4-difluorophenyl)ethyl]-N-ethylglycinamide |
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 | | V6Z | | Name: | methyl N-(2-chlorobenzoyl)glycinate | | Formula: | C10 H10 Cl N O3 | | SMILES: | O=C(NCC(=O)OC)c1ccccc1Cl | | InChi: | InChI=1S/C10H10ClNO3/c1-15-9(13)6-12-10(14)7-4-2-3-5-8(7)11/h2-5H,6H2,1H3,(H,12,14) | | Definition date: | 2022-08-29 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | methyl N-(2-chlorobenzoyl)glycinate |
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 | | WKL | | Name: | N-(2-aminoethyl)-N-(cyanomethyl)thiophene-2-carboxamide | | Formula: | C9 H11 N3 O S | | SMILES: | O=C(N(CCN)CC#N)c1cccs1 | | InChi: | InChI=1S/C9H11N3OS/c10-3-5-12(6-4-11)9(13)8-2-1-7-14-8/h1-2,7H,3,5-6,10H2 | | Definition date: | 2022-09-20 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | N-(2-aminoethyl)-N-(cyanomethyl)thiophene-2-carboxamide |
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 | | W2O | | Name: | D-phenylalaninamide | | Formula: | C9 H12 N2 O | | SMILES: | NC(Cc1ccccc1)C(N)=O | | InChi: | InChI=1S/C9H12N2O/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H2,11,12)/t8-/m1/s1 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | D-phenylalaninamide |
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 | | V73 | | Name: | N-(2-hydroxyethyl)-N-methyl-2-phenylacetamide | | Formula: | C11 H15 N O2 | | SMILES: | O=C(Cc1ccccc1)N(C)CCO | | InChi: | InChI=1S/C11H15NO2/c1-12(7-8-13)11(14)9-10-5-3-2-4-6-10/h2-6,13H,7-9H2,1H3 | | Definition date: | 2022-08-29 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | N-(2-hydroxyethyl)-N-methyl-2-phenylacetamide |
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 | | VNC | | Name: | methyl N-(benzenesulfonyl)-N-methylglycinate | | Formula: | C10 H13 N O4 S | | SMILES: | O=S(=O)(N(C)CC(=O)OC)c1ccccc1 | | InChi: | InChI=1S/C10H13NO4S/c1-11(8-10(12)15-2)16(13,14)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | methyl N-(benzenesulfonyl)-N-methylglycinate |
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 | | W2U | | Name: | (2S)-2-phenoxypropanehydrazide | | Formula: | C9 H12 N2 O2 | | SMILES: | CC(Oc1ccccc1)C(=O)NN | | InChi: | InChI=1S/C9H12N2O2/c1-7(9(12)11-10)13-8-5-3-2-4-6-8/h2-7H,10H2,1H3,(H,11,12)/t7-/m0/s1 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | (2S)-2-phenoxypropanehydrazide |
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 | | V7C | | Name: | N-[(2R)-2-cyanopropyl]benzamide | | Formula: | C11 H12 N2 O | | SMILES: | O=C(NCC(C)C#N)c1ccccc1 | | InChi: | InChI=1S/C11H12N2O/c1-9(7-12)8-13-11(14)10-5-3-2-4-6-10/h2-6,9H,8H2,1H3,(H,13,14)/t9-/m0/s1 | | Definition date: | 2022-08-29 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | N-[(2R)-2-cyanopropyl]benzamide |
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 | | W36 | | Name: | 2-amino-N-(3-fluoro-4-methylphenyl)ethane-1-sulfonamide | | Formula: | C9 H13 F N2 O2 S | | SMILES: | O=S(=O)(Nc1ccc(C)c(F)c1)CCN | | InChi: | InChI=1S/C9H13FN2O2S/c1-7-2-3-8(6-9(7)10)12-15(13,14)5-4-11/h2-3,6,12H,4-5,11H2,1H3 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 2-amino-N-(3-fluoro-4-methylphenyl)ethane-1-sulfonamide |
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 | | V7L | | Name: | N,N~2~-dimethyl-N-(pyridin-2-yl)glycinamide | | Formula: | C9 H13 N3 O | | SMILES: | CN(C(=O)CNC)c1ccccn1 | | InChi: | InChI=1S/C9H13N3O/c1-10-7-9(13)12(2)8-5-3-4-6-11-8/h3-6,10H,7H2,1-2H3 | | Definition date: | 2022-08-29 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | N,N~2~-dimethyl-N-(pyridin-2-yl)glycinamide |
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 | | WLK | | Name: | [(3R)-3-{[(4M)-4-(4-cyclopropyl-2-phenyl-1H-imidazol-1-yl)pyrimidin-2-yl]amino}pyrrolidin-1-yl](1,3-thiazol-2-yl)methanone | | Formula: | C24 H23 N7 O S | | SMILES: | O=C(N1CC(Nc2nc(ccn2)n2cc(nc2c2ccccc2)C2CC2)CC1)c1nccs1 | | InChi: | InChI=1S/C24H23N7OS/c32-23(22-25-11-13-33-22)30-12-9-18(14-30)27-24-26-10-8-20(29-24)31-15-19(16-6-7-16)28-21(31)17-4-2-1-3-5-17/h1-5,8,10-11,13,15-16,18H,6-7,9,12,14H2,(H,26,27,29)/t18-/m1/s1 | | Definition date: | 2022-09-28 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | [(3R)-3-{[(4M)-4-(4-cyclopropyl-2-phenyl-1H-imidazol-1-yl)pyrimidin-2-yl]amino}pyrrolidin-1-yl](1,3-thiazol-2-yl)methanone |
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 | | W3B | | Name: | methyl N-[3-chloro-4-(difluoromethoxy)phenyl]glycinate | | Formula: | C10 H10 Cl F2 N O3 | | SMILES: | Clc1cc(ccc1OC(F)F)NCC(=O)OC | | InChi: | InChI=1S/C10H10ClF2NO3/c1-16-9(15)5-14-6-2-3-8(7(11)4-6)17-10(12)13/h2-4,10,14H,5H2,1H3 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | methyl N-[3-chloro-4-(difluoromethoxy)phenyl]glycinate |
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 | | W3H | | Name: | (3R)-3-(4-chlorobenzene-1-sulfonyl)butanoic acid | | Formula: | C10 H11 Cl O4 S | | SMILES: | O=S(=O)(c1ccc(Cl)cc1)C(C)CC(=O)O | | InChi: | InChI=1S/C10H11ClO4S/c1-7(6-10(12)13)16(14,15)9-4-2-8(11)3-5-9/h2-5,7H,6H2,1H3,(H,12,13)/t7-/m1/s1 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | (3R)-3-(4-chlorobenzene-1-sulfonyl)butanoic acid |
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 | | V7X | | Name: | 1-[2-(pyrrolidin-1-yl)pyridin-3-yl]methanamine | | Formula: | C10 H15 N3 | | SMILES: | NCc1cccnc1N1CCCC1 | | InChi: | InChI=1S/C10H15N3/c11-8-9-4-3-5-12-10(9)13-6-1-2-7-13/h3-5H,1-2,6-8,11H2 | | Definition date: | 2022-08-29 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 1-[2-(pyrrolidin-1-yl)pyridin-3-yl]methanamine |
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 | | W3U | | Name: | 1-benzyl-1H-pyrazole-4-carboxylic acid | | Formula: | C11 H10 N2 O2 | | SMILES: | O=C(O)c1cn(Cc2ccccc2)nc1 | | InChi: | InChI=1S/C11H10N2O2/c14-11(15)10-6-12-13(8-10)7-9-4-2-1-3-5-9/h1-6,8H,7H2,(H,14,15) | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 1-benzyl-1H-pyrazole-4-carboxylic acid |
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 | | V86 | | Name: | 2-bromo-N-ethylbenzamide | | Formula: | C9 H10 Br N O | | SMILES: | O=C(NCC)c1ccccc1Br | | InChi: | InChI=1S/C9H10BrNO/c1-2-11-9(12)7-5-3-4-6-8(7)10/h3-6H,2H2,1H3,(H,11,12) | | Definition date: | 2022-08-29 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 2-bromo-N-ethylbenzamide |
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 | | W3Z | | Name: | ethyl (3S)-1-(methanesulfonyl)piperidine-3-carboxylate | | Formula: | C9 H17 N O4 S | | SMILES: | O=S(C)(=O)N1CCCC(C1)C(=O)OCC | | InChi: | InChI=1S/C9H17NO4S/c1-3-14-9(11)8-5-4-6-10(7-8)15(2,12)13/h8H,3-7H2,1-2H3/t8-/m0/s1 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | ethyl (3S)-1-(methanesulfonyl)piperidine-3-carboxylate |
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 | | V8E | | Name: | (4-butanoylpiperazin-1-yl)acetic acid | | Formula: | C10 H18 N2 O3 | | SMILES: | OC(=O)CN1CCN(CC1)C(=O)CCC | | InChi: | InChI=1S/C10H18N2O3/c1-2-3-9(13)12-6-4-11(5-7-12)8-10(14)15/h2-8H2,1H3,(H,14,15) | | Definition date: | 2022-08-29 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | (4-butanoylpiperazin-1-yl)acetic acid |
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 | | W4C | | Name: | 2,4-dichloro-N-ethyl-N-(2-hydroxyethyl)benzamide | | Formula: | C11 H13 Cl2 N O2 | | SMILES: | O=C(c1ccc(Cl)cc1Cl)N(CC)CCO | | InChi: | InChI=1S/C11H13Cl2NO2/c1-2-14(5-6-15)11(16)9-4-3-8(12)7-10(9)13/h3-4,7,15H,2,5-6H2,1H3 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 2,4-dichloro-N-ethyl-N-(2-hydroxyethyl)benzamide |
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 | | W4H | | Name: | N-[(1S)-1-cyanopropyl]benzamide | | Formula: | C11 H12 N2 O | | SMILES: | O=C(NC(C#N)CC)c1ccccc1 | | InChi: | InChI=1S/C11H12N2O/c1-2-10(8-12)13-11(14)9-6-4-3-5-7-9/h3-7,10H,2H2,1H3,(H,13,14)/t10-/m0/s1 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | N-[(1S)-1-cyanopropyl]benzamide |
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 | | W4R | | Name: | methyl N-[(2,6-dichlorophenyl)acetyl]-N-methylglycinate | | Formula: | C12 H13 Cl2 N O3 | | SMILES: | Clc1cccc(Cl)c1CC(=O)N(C)CC(=O)OC | | InChi: | InChI=1S/C12H13Cl2NO3/c1-15(7-12(17)18-2)11(16)6-8-9(13)4-3-5-10(8)14/h3-5H,6-7H2,1-2H3 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | methyl N-[(2,6-dichlorophenyl)acetyl]-N-methylglycinate |
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 | | W4W | | Name: | ({2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl}sulfanyl)acetonitrile | | Formula: | C11 H18 N2 O S | | SMILES: | O=C(CSCC#N)N1CCCCC1CC | | InChi: | InChI=1S/C11H18N2OS/c1-2-10-5-3-4-7-13(10)11(14)9-15-8-6-12/h10H,2-5,7-9H2,1H3/t10-/m0/s1 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | ({2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl}sulfanyl)acetonitrile |
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 | | U2U | | Name: | N-{2-[(1-aminoisoquinolin-6-yl)oxy]-4-methylphenyl}-2-methoxybenzene-1-sulfonamide | | Formula: | C23 H21 N3 O4 S | | SMILES: | COc1ccccc1S(=O)(=O)Nc1ccc(C)cc1Oc1cc2ccnc(N)c2cc1 | | InChi: | InChI=1S/C23H21N3O4S/c1-15-7-10-19(26-31(27,28)22-6-4-3-5-20(22)29-2)21(13-15)30-17-8-9-18-16(14-17)11-12-25-23(18)24/h3-14,26H,1-2H3,(H2,24,25) | | Definition date: | 2022-08-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | N-{2-[(1-aminoisoquinolin-6-yl)oxy]-4-methylphenyl}-2-methoxybenzene-1-sulfonamide |
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 | | 9XL | | Name: | (2S)-2-amino-4-([3-(3-carbamoylphenyl)prop-2-yn-1-yl]{[(1R,2R,3S,4R)-4-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2,3-dihydroxycyclopentyl]methyl}amino)butanoic acid | | Formula: | C26 H29 Cl N6 O5 | | SMILES: | NC(=O)c1cccc(c1)C#CCN(CCC(N)C(=O)O)CC1CC(C(O)C1O)n1ccc2c1ncnc2Cl | | InChi: | InChI=1S/C26H29ClN6O5/c27-23-18-6-10-33(25(18)31-14-30-23)20-12-17(21(34)22(20)35)13-32(9-7-19(28)26(37)38)8-2-4-15-3-1-5-16(11-15)24(29)36/h1,3,5-6,10-11,14,17,19-22,34-35H,7-9,12-13,28H2,(H2,29,36)(H,37,38)/t17-,19+,20-,21-,22+/m1/s1 | | Definition date: | 2021-11-01 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | (2S)-2-amino-4-([3-(3-carbamoylphenyl)prop-2-yn-1-yl]{[(1R,2R,3S,4R)-4-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2,3-dihydroxycyclopentyl]methyl}amino)butanoic acid |
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 | | 98O | | Name: | (2S,4S)-N-((3R,5R)-5-((2-chloro-4-((4-(morpholinomethyl)phenyl)ethynyl)benzamido)methyl)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl)-4-fluoropyrrolidine-2-carboxamide | | Formula: | C34 H39 Cl F N5 O4 | | SMILES: | F[CH]1CN[CH](C1)C(=O)N[CH]2C[CH](CNC(=O)c3ccc(cc3Cl)C#Cc4ccc(CN5CCOCC5)cc4)N(C2)C(=O)C6CC6 | | InChi: | InChI=1S/C34H39ClFN5O4/c35-30-15-23(4-1-22-2-5-24(6-3-22)20-40-11-13-45-14-12-40)7-10-29(30)32(42)38-19-28-17-27(21-41(28)34(44)25-8-9-25)39-33(43)31-16-26(36)18-37-31/h2-3,5-7,10,15,25-28,31,37H,8-9,11-14,16-21H2,(H,38,42)(H,39,43)/t26-,27+,28+,31-/m0/s1 | | Synonyms: | (2S,4S)-N-[(3R,5R)-5-[[[2-chloranyl-4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]carbonylamino]methyl]-1-cyclopropylcarbonyl-pyrrolidin-3-yl]-4-fluoranyl-pyrrolidine-2-carboxamide | | Definition date: | 2021-11-11 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | (2~{S},4~{S})-~{N}-[(3~{R},5~{R})-5-[[[2-chloranyl-4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]carbonylamino]methyl]-1-cyclopropylcarbonyl-pyrrolidin-3-yl]-4-fluoranyl-pyrrolidine-2-carboxamide |
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