 | | T54 | | Name: | (1R,2S)-2-(thiophen-3-yl)cyclopentane-1-carboxamide | | Formula: | C10 H13 N O S | | SMILES: | c1c(csc1)C2C(C(N)=O)CCC2 | | InChi: | InChI=1S/C10H13NOS/c11-10(12)9-3-1-2-8(9)7-4-5-13-6-7/h4-6,8-9H,1-3H2,(H2,11,12)/t8-,9-/m1/s1 | | Definition date: | 2020-03-16 | | Last modified: | 2020-03-20 | | Release date: | 2020-03-25 | | Identifier: | (1R,2S)-2-(thiophen-3-yl)cyclopentane-1-carboxamide |
|
 | | T5D | | Name: | [1-(pyridin-2-yl)cyclopentyl]methanol | | Formula: | C11 H15 N O | | SMILES: | c1ccc(nc1)C2(CCCC2)CO | | InChi: | InChI=1S/C11H15NO/c13-9-11(6-2-3-7-11)10-5-1-4-8-12-10/h1,4-5,8,13H,2-3,6-7,9H2 | | Definition date: | 2020-03-16 | | Last modified: | 2020-03-20 | | Release date: | 2020-03-25 | | Identifier: | [1-(pyridin-2-yl)cyclopentyl]methanol |
|
 | | T5G | | Name: | 4-bromobenzene-1-sulfonamide | | Formula: | C6 H6 Br N O2 S | | SMILES: | c1c(ccc(c1)Br)S(N)(=O)=O | | InChi: | InChI=1S/C6H6BrNO2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H2,8,9,10) | | Definition date: | 2020-03-16 | | Last modified: | 2020-03-20 | | Release date: | 2020-03-25 | | Identifier: | 4-bromobenzene-1-sulfonamide |
|
 | | T5V | | Name: | pyrimidin-5-amine | | Formula: | C4 H5 N3 | | SMILES: | n1cncc(N)c1 | | InChi: | InChI=1S/C4H5N3/c5-4-1-6-3-7-2-4/h1-3H,5H2 | | Definition date: | 2020-03-16 | | Last modified: | 2020-03-20 | | Release date: | 2020-03-25 | | Identifier: | pyrimidin-5-amine |
|
 | | T5Y | | Name: | pyridin-2-ol | | Formula: | C5 H5 N O | | SMILES: | c1nc(O)ccc1 | | InChi: | InChI=1S/C5H5NO/c7-5-3-1-2-4-6-5/h1-4H,(H,6,7) | | Definition date: | 2020-03-16 | | Last modified: | 2020-03-20 | | Release date: | 2020-03-25 | | Identifier: | pyridin-2-ol |
|
 | | T6J | | Name: | 2-[(methylsulfonyl)methyl]-1H-benzimidazole | | Formula: | C9 H10 N2 O2 S | | SMILES: | n1c(nc2ccccc12)CS(C)(=O)=O | | InChi: | InChI=1S/C9H10N2O2S/c1-14(12,13)6-9-10-7-4-2-3-5-8(7)11-9/h2-5H,6H2,1H3,(H,10,11) | | Definition date: | 2020-03-16 | | Last modified: | 2020-03-20 | | Release date: | 2020-03-25 | | Identifier: | 2-[(methylsulfonyl)methyl]-1H-benzimidazole |
|
 | | NWT | | Name: | N-[(2S)-3-(3,5-difluorophenyl)-1-[[(3S,9S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]amino]-1-oxopropan-2-yl]heptanamide | | Formula: | C39 H52 F2 N6 O8 | | SMILES: | CCCCC=CC(=O)N[CH](Cc1cc(F)cc(F)c1)C(=O)N[CH]2COC(=O)[CH]3C[CH](C)CN3C(=O)[CH](C)NC(=O)[CH]4CCCCN4C(=O)[CH]5CCCN5C2=O | | InChi: | InChI=1S/C39H52F2N6O8/c1-4-5-6-7-13-33(48)43-28(19-25-17-26(40)20-27(41)18-25)34(49)44-29-22-55-39(54)32-16-23(2)21-47(32)36(51)24(3)42-35(50)30-11-8-9-14-45(30)38(53)31-12-10-15-46(31)37(29)52/h7,13,17-18,20,23-24,28-32H,4-6,8-12,14-16,19,21-22H2,1-3H3,(H,42,50)(H,43,48)(H,44,49)/t23-,24+,28+,29+,30+,31+,32+/m1/s1 | | Definition date: | 2020-01-06 | | Last modified: | 2020-03-20 | | Release date: | 2020-03-25 |
|
 | | LWA | | Name: | (2~{S})-~{N}-(4-aminocarbonylphenyl)oxolane-2-carboxamide | | Formula: | C12 H14 N2 O3 | | SMILES: | NC(=O)c1ccc(NC(=O)[CH]2CCCO2)cc1 | | InChi: | InChI=1S/C12H14N2O3/c13-11(15)8-3-5-9(6-4-8)14-12(16)10-2-1-7-17-10/h3-6,10H,1-2,7H2,(H2,13,15)(H,14,16)/t10-/m0/s1 | | Definition date: | 2019-03-15 | | Last modified: | 2020-03-20 | | Release date: | 2020-03-25 | | Identifier: | (2~{S})-~{N}-(4-aminocarbonylphenyl)oxolane-2-carboxamide |
|
 | | SZY | | Name: | N-(4-methylpyridin-3-yl)acetamide | | Formula: | C8 H10 N2 O | | SMILES: | c1(ccncc1NC(C)=O)C | | InChi: | InChI=1S/C8H10N2O/c1-6-3-4-9-5-8(6)10-7(2)11/h3-5H,1-2H3,(H,10,11) | | Definition date: | 2020-03-16 | | Last modified: | 2020-03-20 | | Release date: | 2020-03-25 | | Identifier: | N-(4-methylpyridin-3-yl)acetamide |
|
 | | T0J | | Name: | N~1~-phenylpiperidine-1,4-dicarboxamide | | Formula: | C13 H17 N3 O2 | | SMILES: | C(N1CCC(C(N)=O)CC1)(Nc2ccccc2)=O | | InChi: | InChI=1S/C13H17N3O2/c14-12(17)10-6-8-16(9-7-10)13(18)15-11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H2,14,17)(H,15,18) | | Definition date: | 2020-03-16 | | Last modified: | 2020-03-20 | | Release date: | 2020-03-25 | | Identifier: | N~1~-phenylpiperidine-1,4-dicarboxamide |
|
 | | T0S | | Name: | N-[(4-sulfamoylphenyl)methyl]acetamide | | Formula: | C9 H12 N2 O3 S | | SMILES: | c1c(ccc(CNC(C)=O)c1)S(N)(=O)=O | | InChi: | InChI=1S/C9H12N2O3S/c1-7(12)11-6-8-2-4-9(5-3-8)15(10,13)14/h2-5H,6H2,1H3,(H,11,12)(H2,10,13,14) | | Definition date: | 2020-03-16 | | Last modified: | 2020-03-20 | | Release date: | 2020-03-25 | | Identifier: | N-[(4-sulfamoylphenyl)methyl]acetamide |
|
 | | T0V | | Name: | 1-(3-fluorophenyl)-N-[(furan-2-yl)methyl]methanamine | | Formula: | C12 H12 F N O | | SMILES: | c2(CNCc1cc(F)ccc1)occc2 | | InChi: | InChI=1S/C12H12FNO/c13-11-4-1-3-10(7-11)8-14-9-12-5-2-6-15-12/h1-7,14H,8-9H2 | | Definition date: | 2020-03-16 | | Last modified: | 2020-03-20 | | Release date: | 2020-03-25 | | Identifier: | 1-(3-fluorophenyl)-N-[(furan-2-yl)methyl]methanamine |
|
 | | T0Y | | Name: | 1-[(thiophen-3-yl)methyl]piperidin-4-ol | | Formula: | C10 H15 N O S | | SMILES: | C1CN(CCC1O)Cc2cscc2 | | InChi: | InChI=1S/C10H15NOS/c12-10-1-4-11(5-2-10)7-9-3-6-13-8-9/h3,6,8,10,12H,1-2,4-5,7H2 | | Definition date: | 2020-03-16 | | Last modified: | 2020-03-20 | | Release date: | 2020-03-25 | | Identifier: | 1-[(thiophen-3-yl)methyl]piperidin-4-ol |
|
 | | T1J | | Name: | 2-{[(1H-benzimidazol-2-yl)amino]methyl}phenol | | Formula: | C14 H13 N3 O | | SMILES: | c3(NCc1c(O)cccc1)nc2ccccc2n3 | | InChi: | InChI=1S/C14H13N3O/c18-13-8-4-1-5-10(13)9-15-14-16-11-6-2-3-7-12(11)17-14/h1-8,18H,9H2,(H2,15,16,17) | | Definition date: | 2020-03-16 | | Last modified: | 2020-03-20 | | Release date: | 2020-03-25 | | Identifier: | 2-{[(1H-benzimidazol-2-yl)amino]methyl}phenol |
|
 | | T1M | | Name: | (2R,3R)-1-benzyl-2-methylpiperidin-3-ol | | Formula: | C13 H19 N O | | SMILES: | c2(CN1C(C)C(CCC1)O)ccccc2 | | InChi: | InChI=1S/C13H19NO/c1-11-13(15)8-5-9-14(11)10-12-6-3-2-4-7-12/h2-4,6-7,11,13,15H,5,8-10H2,1H3/t11-,13+/m1/s1 | | Definition date: | 2020-03-16 | | Last modified: | 2020-03-20 | | Release date: | 2020-03-25 | | Identifier: | (2R,3R)-1-benzyl-2-methylpiperidin-3-ol |
|
 | | T1S | | Name: | 4-[(3-chlorophenyl)methyl]morpholine | | Formula: | C11 H14 Cl N O | | SMILES: | C1CN(CCO1)Cc2cccc(Cl)c2 | | InChi: | InChI=1S/C11H14ClNO/c12-11-3-1-2-10(8-11)9-13-4-6-14-7-5-13/h1-3,8H,4-7,9H2 | | Definition date: | 2020-03-16 | | Last modified: | 2020-03-20 | | Release date: | 2020-03-25 | | Identifier: | 4-[(3-chlorophenyl)methyl]morpholine |
|
 | | M3A | | Name: | 5-amino-3-[(4-cyanophenyl)amino]-N-phenyl-1H-1,2,4-triazole-1-carboxamide | | Formula: | C16 H13 N7 O | | SMILES: | c1(ccc(C#N)cc1)Nc3nc(N)n(C(=O)Nc2ccccc2)n3 | | InChi: | InChI=1S/C16H13N7O/c17-10-11-6-8-13(9-7-11)19-15-21-14(18)23(22-15)16(24)20-12-4-2-1-3-5-12/h1-9H,(H,20,24)(H3,18,19,21,22) | | Definition date: | 2019-03-19 | | Last modified: | 2020-03-20 | | Release date: | 2020-03-25 | | Identifier: | 5-amino-3-[(4-cyanophenyl)amino]-N-phenyl-1H-1,2,4-triazole-1-carboxamide |
|
 | | M3J | | Name: | 6-bromo-N~2~-phenylquinazoline-2,4-diamine | | Formula: | C14 H11 Br N4 | | SMILES: | c3cc(Nc2nc1ccc(Br)cc1c(N)n2)ccc3 | | InChi: | InChI=1S/C14H11BrN4/c15-9-6-7-12-11(8-9)13(16)19-14(18-12)17-10-4-2-1-3-5-10/h1-8H,(H3,16,17,18,19) | | Definition date: | 2019-03-20 | | Last modified: | 2020-03-20 | | Release date: | 2020-03-25 | | Identifier: | 6-bromo-N~2~-phenylquinazoline-2,4-diamine |
|
 | | M3Y | | Name: | 5-amino-N-phenyl-3-[(4-sulfamoylphenyl)amino]-1H-1,2,4-triazole-1-carboxamide | | Formula: | C15 H15 N7 O3 S | | SMILES: | c3c(ccc(Nc2nc(N)n(C(Nc1ccccc1)=O)n2)c3)S(N)(=O)=O | | InChi: | InChI=1S/C15H15N7O3S/c16-13-20-14(18-11-6-8-12(9-7-11)26(17,24)25)21-22(13)15(23)19-10-4-2-1-3-5-10/h1-9H,(H,19,23)(H2,17,24,25)(H3,16,18,20,21) | | Definition date: | 2019-03-21 | | Last modified: | 2020-03-20 | | Release date: | 2020-03-25 | | Identifier: | 5-amino-N-phenyl-3-[(4-sulfamoylphenyl)amino]-1H-1,2,4-triazole-1-carboxamide |
|
 | | M4G | | Name: | [4-({5-amino-3-[(4-sulfamoylphenyl)amino]-1H-1,2,4-triazole-1-carbonyl}amino)phenoxy]acetic acid | | Formula: | C17 H17 N7 O6 S | | SMILES: | O(c3ccc(NC(n1nc(nc1N)Nc2ccc(cc2)S(N)(=O)=O)=O)cc3)CC(O)=O | | InChi: | InChI=1S/C17H17N7O6S/c18-15-22-16(20-10-3-7-13(8-4-10)31(19,28)29)23-24(15)17(27)21-11-1-5-12(6-2-11)30-9-14(25)26/h1-8H,9H2,(H,21,27)(H,25,26)(H2,19,28,29)(H3,18,20,22,23) | | Definition date: | 2019-03-21 | | Last modified: | 2020-03-20 | | Release date: | 2020-03-25 | | Identifier: | [4-({5-amino-3-[(4-sulfamoylphenyl)amino]-1H-1,2,4-triazole-1-carbonyl}amino)phenoxy]acetic acid |
|
 | | M4P | | Name: | [4-({5-amino-3-[(4-cyanophenyl)amino]-1H-1,2,4-triazole-1-carbonyl}amino)phenoxy]acetic acid | | Formula: | C18 H15 N7 O4 | | SMILES: | OC(COc1ccc(cc1)NC(n3c(nc(Nc2ccc(C#N)cc2)n3)N)=O)=O | | InChi: | InChI=1S/C18H15N7O4/c19-9-11-1-3-12(4-2-11)21-17-23-16(20)25(24-17)18(28)22-13-5-7-14(8-6-13)29-10-15(26)27/h1-8H,10H2,(H,22,28)(H,26,27)(H3,20,21,23,24) | | Definition date: | 2019-03-22 | | Last modified: | 2020-03-20 | | Release date: | 2020-03-25 | | Identifier: | [4-({5-amino-3-[(4-cyanophenyl)amino]-1H-1,2,4-triazole-1-carbonyl}amino)phenoxy]acetic acid |
|
 | | M57 | | Name: | 2-[4-({5-amino-3-[(4-sulfamoylphenyl)amino]-1H-1,2,4-triazole-1-carbonyl}amino)phenyl]-1,3-oxazole-4-carboxylic acid | | Formula: | C19 H16 N8 O6 S | | SMILES: | OC(=O)c1nc(oc1)c2ccc(cc2)NC(n3nc(nc3N)Nc4ccc(cc4)S(N)(=O)=O)=O | | InChi: | InChI=1S/C19H16N8O6S/c20-17-25-18(22-11-5-7-13(8-6-11)34(21,31)32)26-27(17)19(30)23-12-3-1-10(2-4-12)15-24-14(9-33-15)16(28)29/h1-9H,(H,23,30)(H,28,29)(H2,21,31,32)(H3,20,22,25,26) | | Definition date: | 2019-03-25 | | Last modified: | 2020-03-20 | | Release date: | 2020-03-25 | | Identifier: | 2-[4-({5-amino-3-[(4-sulfamoylphenyl)amino]-1H-1,2,4-triazole-1-carbonyl}amino)phenyl]-1,3-oxazole-4-carboxylic acid |
|
 | | BQU | | Name: | 3-[2-azanyl-5-[2-(phenoxymethyl)-1,3-thiazol-4-yl]phenyl]propanoic acid | | Formula: | C19 H18 N2 O3 S | | SMILES: | Nc1ccc(cc1CCC(O)=O)c2csc(COc3ccccc3)n2 | | InChi: | InChI=1S/C19H18N2O3S/c20-16-8-6-14(10-13(16)7-9-19(22)23)17-12-25-18(21-17)11-24-15-4-2-1-3-5-15/h1-6,8,10,12H,7,9,11,20H2,(H,22,23) | | Definition date: | 2019-03-05 | | Last modified: | 2020-03-20 | | Release date: | 2020-03-25 | | Identifier: | 3-[2-azanyl-5-[2-(phenoxymethyl)-1,3-thiazol-4-yl]phenyl]propanoic acid |
|
 | | BS0 | | Name: | 6-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one | | Formula: | C19 H16 N2 O2 S | | SMILES: | O=C1CCc2cc(ccc2N1)c3csc(COc4ccccc4)n3 | | InChi: | InChI=1S/C19H16N2O2S/c22-18-9-7-13-10-14(6-8-16(13)20-18)17-12-24-19(21-17)11-23-15-4-2-1-3-5-15/h1-6,8,10,12H,7,9,11H2,(H,20,22) | | Definition date: | 2019-03-05 | | Last modified: | 2020-03-20 | | Release date: | 2020-03-25 | | Identifier: | 6-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-3,4-dihydro-1~{H}-quinolin-2-one |
|
 | | DJ0 | | Name: | 3-[3,5-bis(fluoranyl)-2-phenylmethoxy-phenyl]propanal | | Formula: | C16 H14 F2 O2 | | SMILES: | Fc1cc(F)c(OCc2ccccc2)c(CCC=O)c1 | | InChi: | InChI=1S/C16H14F2O2/c17-14-9-13(7-4-8-19)16(15(18)10-14)20-11-12-5-2-1-3-6-12/h1-3,5-6,8-10H,4,7,11H2 | | Definition date: | 2019-07-31 | | Last modified: | 2020-03-20 | | Release date: | 2020-03-25 | | Identifier: | 3-[3,5-bis(fluoranyl)-2-phenylmethoxy-phenyl]propanal |
|
