 | | A1H9I | | Name: | fluoromethylcholine | | Formula: | C5 H13 F N O | | SMILES: | C[N+](C)(CF)CCO | | InChi: | InChI=1S/C5H13FNO/c1-7(2,5-6)3-4-8/h8H,3-5H2,1-2H3/q+1 | | Synonyms: | N-(fluoromethyl)-2-hydroxy-N,N- dimethylethan-1-aminium | | Definition date: | 2024-04-26 | | Last modified: | 2024-05-03 | | Release date: | 2024-05-08 | | Identifier: | fluoranylmethyl-(2-hydroxyethyl)-dimethyl-azanium |
|
 | | A1H9R | | Name: | ~{N}-(cyclobutylmethyl)-1,3-dimethyl-pyrazole-4-carboxamide | | Formula: | C11 H17 N3 O | | SMILES: | Cn1cc(C(=O)NCC2CCC2)c(C)n1 | | InChi: | InChI=1S/C11H17N3O/c1-8-10(7-14(2)13-8)11(15)12-6-9-4-3-5-9/h7,9H,3-6H2,1-2H3,(H,12,15) | | Definition date: | 2024-04-29 | | Last modified: | 2024-05-03 | | Release date: | 2024-05-08 | | Identifier: | ~{N}-(cyclobutylmethyl)-1,3-dimethyl-pyrazole-4-carboxamide |
|
 | | A1H9U | | Name: | ~{N}-(3-azanyl-2-methyl-phenyl)propanamide | | Formula: | C10 H14 N2 O | | SMILES: | CCC(=O)Nc1cccc(N)c1C | | InChi: | InChI=1S/C10H14N2O/c1-3-10(13)12-9-6-4-5-8(11)7(9)2/h4-6H,3,11H2,1-2H3,(H,12,13) | | Synonyms: | N-(3-amino-2-methylphenyl)propanamide | | Definition date: | 2024-04-29 | | Last modified: | 2024-05-03 | | Release date: | 2024-05-08 | | Identifier: | ~{N}-(3-azanyl-2-methyl-phenyl)propanamide |
|
 | | A1H9V | | Name: | ~{N},~{N}-dimethyl-1~{H}-pyrazole-4-sulfonamide | | Formula: | C5 H9 N3 O2 S | | SMILES: | CN(C)[S](=O)(=O)c1c[nH]nc1 | | InChi: | InChI=1S/C5H9N3O2S/c1-8(2)11(9,10)5-3-6-7-4-5/h3-4H,1-2H3,(H,6,7) | | Synonyms: | N,N-dimethyl-1H-pyrazole-4-sulfonamide | | Definition date: | 2024-04-29 | | Last modified: | 2024-05-03 | | Release date: | 2024-05-08 | | Identifier: | ~{N},~{N}-dimethyl-1~{H}-pyrazole-4-sulfonamide |
|
 | | A1H9W | | Name: | [4-(methylamino)oxan-4-yl]methanol | | Formula: | C7 H15 N O2 | | SMILES: | CNC1(CO)CCOCC1 | | InChi: | InChI=1S/C7H15NO2/c1-8-7(6-9)2-4-10-5-3-7/h8-9H,2-6H2,1H3 | | Definition date: | 2024-04-29 | | Last modified: | 2024-05-03 | | Release date: | 2024-05-08 | | Identifier: | [4-(methylamino)oxan-4-yl]methanol |
|
 | | A1H9X | | Name: | 5-[(phenylmethyl)amino]-1~{H}-pyrimidine-2,4-dione | | Formula: | C11 H11 N3 O2 | | SMILES: | O=C1NC=C(NCc2ccccc2)C(=O)N1 | | InChi: | InChI=1S/C11H11N3O2/c15-10-9(7-13-11(16)14-10)12-6-8-4-2-1-3-5-8/h1-5,7,12H,6H2,(H2,13,14,15,16) | | Synonyms: | 5-(Benzylamino)pyrimidine-2,4(1h,3h)-dione | | Definition date: | 2024-04-29 | | Last modified: | 2024-05-03 | | Release date: | 2024-05-08 | | Identifier: | 5-[(phenylmethyl)amino]-1~{H}-pyrimidine-2,4-dione |
|
 | | HWF | | Name: | (2S)-3-phenyl-2-[(3R)-pyrrolidin-3-yl]propanoic acid | | Formula: | C13 H17 N O2 | | SMILES: | O=C(O)C(Cc1ccccc1)C1CCNC1 | | InChi: | InChI=1S/C13H17NO2/c15-13(16)12(11-6-7-14-9-11)8-10-4-2-1-3-5-10/h1-5,11-12,14H,6-9H2,(H,15,16)/t11-,12-/m0/s1 | | Synonyms: | LY3353871 | | Definition date: | 2023-07-22 | | Last modified: | 2024-05-03 | | Release date: | 2024-05-08 | | Identifier: | (2S)-3-phenyl-2-[(3R)-pyrrolidin-3-yl]propanoic acid |
|
 | | A1ACD | | Name: | 1-{2-deoxy-5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]-beta-D-threo-pentofuranosyl}-5-methylpyrimidine-2,4(1H,3H)-dione | | Formula: | C11 H19 N2 O13 P3 | | SMILES: | O=P(O)(O)OP(=O)(O)CP(=O)(O)OCC1OC(CC1O)N1C=C(C)C(=O)NC1=O | | InChi: | InChI=1S/C11H19N2O13P3/c1-6-3-13(11(16)12-10(6)15)9-2-7(14)8(25-9)4-24-27(17,18)5-28(19,20)26-29(21,22)23/h3,7-9,14H,2,4-5H2,1H3,(H,17,18)(H,19,20)(H,12,15,16)(H2,21,22,23)/t7-,8-,9-/m1/s1 | | Definition date: | 2024-01-10 | | Last modified: | 2024-05-03 | | Release date: | 2024-05-08 | | Identifier: | 1-{2-deoxy-5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]-beta-D-threo-pentofuranosyl}-5-methylpyrimidine-2,4(1H,3H)-dione |
|
 | | A1AD7 | | Name: | (4P)-4-[(3P)-3-(5-fluoropyridin-2-yl)-1-methyl-1H-pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine | | Formula: | C16 H12 F N5 | | SMILES: | Cn1cc(c(n1)c1ncc(F)cc1)c1ccnc2[NH]ccc21 | | InChi: | InChI=1S/C16H12FN5/c1-22-9-13(11-4-6-18-16-12(11)5-7-19-16)15(21-22)14-3-2-10(17)8-20-14/h2-9H,1H3,(H,18,19) | | Definition date: | 2024-02-05 | | Last modified: | 2024-05-03 | | Release date: | 2024-05-08 | | Identifier: | (4P)-4-[(3P)-3-(5-fluoropyridin-2-yl)-1-methyl-1H-pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine |
|
 | | A1AD8 | | Name: | (2P,3P,8S)-2-(5-fluoropyridin-2-yl)-6,6-dimethyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine | | Formula: | C19 H17 F N6 O | | SMILES: | Fc1ccc(nc1)c1nn2CC(C)(C)OCc2c1c1ccnc2[NH]ncc21 | | InChi: | InChI=1S/C19H17FN6O/c1-19(2)10-26-15(9-27-19)16(12-5-6-21-18-13(12)8-23-24-18)17(25-26)14-4-3-11(20)7-22-14/h3-8H,9-10H2,1-2H3,(H,21,23,24) | | Definition date: | 2024-02-05 | | Last modified: | 2024-05-03 | | Release date: | 2024-05-08 | | Identifier: | (2P,3P,8S)-2-(5-fluoropyridin-2-yl)-6,6-dimethyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine |
|
 | | A1AD9 | | Name: | (4M)-4-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine | | Formula: | C17 H13 F N4 | | SMILES: | Cn1cc(c(n1)c1ccc(F)cc1)c1ccnc2[NH]ccc21 | | InChi: | InChI=1S/C17H13FN4/c1-22-10-15(13-6-8-19-17-14(13)7-9-20-17)16(21-22)11-2-4-12(18)5-3-11/h2-10H,1H3,(H,19,20) | | Definition date: | 2024-02-05 | | Last modified: | 2024-05-03 | | Release date: | 2024-05-08 | | Identifier: | (4M)-4-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine |
|
 | | IJM | | Name: | (6M)-3-hydroxy-4-oxo-6-[(4M)-4-(1H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-2-carboxylic acid | | Formula: | C14 H8 F3 N5 O4 | | SMILES: | O=C(O)C=1NC(=CC(=O)C=1O)c1ccc(cc1C(F)(F)F)c1nnn[NH]1 | | InChi: | InChI=1S/C14H8F3N5O4/c15-14(16,17)7-3-5(12-19-21-22-20-12)1-2-6(7)8-4-9(23)11(24)10(18-8)13(25)26/h1-4,24H,(H,18,23)(H,25,26)(H,19,20,21,22) | | Definition date: | 2023-08-01 | | Last modified: | 2024-05-03 | | Release date: | 2024-05-08 | | Identifier: | (6M)-3-hydroxy-4-oxo-6-[(4M)-4-(1H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-2-carboxylic acid |
|
 | | YOP | | Name: | 3-[(2S)-2-amino-3-hydroxypropyl]pyridin-2(5H)-one | | Formula: | C8 H12 N2 O2 | | SMILES: | O=C1NC=CC=C1CC(N)CO | | InChi: | InChI=1S/C8H12N2O2/c9-7(5-11)4-6-2-1-3-10-8(6)12/h1-3,7,11H,4-5,9H2,(H,10,12)/t7-/m0/s1 | | Definition date: | 2021-03-17 | | Last modified: | 2024-04-30 | | Release date: | 2021-08-25 | | Identifier: | 3-[(2S)-2-amino-3-hydroxypropyl]pyridin-2(1H)-one |
|
 | | LYT | | Name: | BUTYLAMINE | | Formula: | C4 H11 N | | SMILES: | NCCCC | | InChi: | InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3 | | Definition date: | 1999-07-08 | | Last modified: | 2024-04-30 | | Identifier: | butan-1-amine |
|
 | | 9R4 | | Name: | D-gamma-glutamyl-2-methyl-L-alanine | | Formula: | C9 H16 N2 O5 | | SMILES: | NC(CCC(NC(C)(C(O)=O)C)=O)C(O)=O | | InChi: | InChI=1S/C9H16N2O5/c1-9(2,8(15)16)11-6(12)4-3-5(10)7(13)14/h5H,3-4,10H2,1-2H3,(H,11,12)(H,13,14)(H,15,16)/t5-/m1/s1 | | Definition date: | 2017-06-01 | | Last modified: | 2024-04-30 | | Release date: | 2017-11-15 | | Identifier: | D-gamma-glutamyl-2-methyl-L-alanine |
|
 | | R5P | | Name: | RIBOSE-5-PHOSPHATE | | Formula: | C5 H11 O8 P | | SMILES: | O=P(OCC(O)C(O)C(O)C=O)(O)O | | InChi: | InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h1,3-5,7-9H,2H2,(H2,10,11,12)/t3-,4+,5-/m0/s1 | | Definition date: | 2001-06-19 | | Last modified: | 2024-04-30 | | Identifier: | 5-O-phosphono-D-ribose |
|
 | | 1CC | | Name: | 5-carboxy-2'-deoxycytidine monophosphate | | Formula: | C10 H14 N3 O9 P | | SMILES: | O=C(O)C=1C(=NC(=O)N(C=1)C2OC(C(O)C2)COP(=O)(O)O)N | | InChi: | InChI=1S/C10H14N3O9P/c11-8-4(9(15)16)2-13(10(17)12-8)7-1-5(14)6(22-7)3-21-23(18,19)20/h2,5-7,14H,1,3H2,(H,15,16)(H2,11,12,17)(H2,18,19,20)/t5-,6+,7+/m0/s1 | | Definition date: | 2011-11-17 | | Last modified: | 2024-04-29 | | Identifier: | 5-carboxy-2'-deoxycytidine 5'-(dihydrogen phosphate) |
|
 | | W0E | | Name: | 3-azanyl-5-methyl-phenol | | Formula: | C7 H9 N O | | SMILES: | Cc1cc(N)cc(O)c1 | | InChi: | InChI=1S/C7H9NO/c1-5-2-6(8)4-7(9)3-5/h2-4,9H,8H2,1H3 | | Definition date: | 2023-04-21 | | Last modified: | 2024-04-26 | | Release date: | 2024-05-01 | | Identifier: | 3-azanyl-5-methyl-phenol |
|
 | | W0K | | Name: | ~{N}-(2-sulfanylethyl)ethanamide | | Formula: | C4 H9 N O S | | SMILES: | CC(=O)NCCS | | InChi: | InChI=1S/C4H9NOS/c1-4(6)5-2-3-7/h7H,2-3H2,1H3,(H,5,6) | | Definition date: | 2023-04-21 | | Last modified: | 2024-04-26 | | Release date: | 2024-05-01 | | Identifier: | ~{N}-(2-sulfanylethyl)ethanamide |
|
 | | W0O | | Name: | 1-(1-methylpiperidin-4-yl)-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine | | Formula: | C23 H24 N6 O | | SMILES: | CN1CCC(CC1)n2nc(c3ccc(Oc4ccccc4)cc3)c5c(N)ncnc25 | | InChi: | InChI=1S/C23H24N6O/c1-28-13-11-17(12-14-28)29-23-20(22(24)25-15-26-23)21(27-29)16-7-9-19(10-8-16)30-18-5-3-2-4-6-18/h2-10,15,17H,11-14H2,1H3,(H2,24,25,26) | | Definition date: | 2023-04-21 | | Last modified: | 2024-04-26 | | Release date: | 2024-05-01 | | Identifier: | 1-(1-methylpiperidin-4-yl)-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine |
|
 | | Y0B | | Name: | 2-methoxy-6-{[(1-propyl-1H-benzimidazol-2-yl)amino]methyl}phenol | | Formula: | C18 H21 N3 O2 | | SMILES: | COc1cccc(CNc2nc3ccccc3n2CCC)c1O | | InChi: | InChI=1S/C18H21N3O2/c1-3-11-21-15-9-5-4-8-14(15)20-18(21)19-12-13-7-6-10-16(23-2)17(13)22/h4-10,22H,3,11-12H2,1-2H3,(H,19,20) | | Definition date: | 2023-06-09 | | Last modified: | 2024-04-26 | | Release date: | 2024-05-01 | | Identifier: | 2-methoxy-6-{[(1-propyl-1H-benzimidazol-2-yl)amino]methyl}phenol |
|
 | | X1L | | Name: | N-[(1S)-1-cyclopropyl-3-(methanesulfonyl)propyl]-2-(1,1-difluoroethyl)-4-phenoxypyrimidine-5-carboxamide | | Formula: | C20 H23 F2 N3 O4 S | | SMILES: | FC(C)(F)c1nc(Oc2ccccc2)c(cn1)C(=O)NC(CCS(C)(=O)=O)C1CC1 | | InChi: | InChI=1S/C20H23F2N3O4S/c1-20(21,22)19-23-12-15(18(25-19)29-14-6-4-3-5-7-14)17(26)24-16(13-8-9-13)10-11-30(2,27)28/h3-7,12-13,16H,8-11H2,1-2H3,(H,24,26) | | Definition date: | 2023-10-19 | | Last modified: | 2024-04-26 | | Release date: | 2024-05-01 | | Identifier: | N-[(1S)-1-cyclopropyl-3-(methanesulfonyl)propyl]-2-(1,1-difluoroethyl)-4-phenoxypyrimidine-5-carboxamide |
|
 | | W1O | | Name: | 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[4-[(4-sulfamoylphenyl)methylcarbamoyl]piperazin-1-yl]quinoline-3-carboxylic acid | | Formula: | C25 H26 F N5 O6 S | | SMILES: | N[S](=O)(=O)c1ccc(CNC(=O)N2CCN(CC2)c3cc4N(C=C(C(O)=O)C(=O)c4cc3F)C5CC5)cc1 | | InChi: | InChI=1S/C25H26FN5O6S/c26-20-11-18-21(31(16-3-4-16)14-19(23(18)32)24(33)34)12-22(20)29-7-9-30(10-8-29)25(35)28-13-15-1-5-17(6-2-15)38(27,36)37/h1-2,5-6,11-12,14,16H,3-4,7-10,13H2,(H,28,35)(H,33,34)(H2,27,36,37) | | Definition date: | 2023-04-24 | | Last modified: | 2024-04-26 | | Release date: | 2024-05-01 | | Identifier: | 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[4-[(4-sulfamoylphenyl)methylcarbamoyl]piperazin-1-yl]quinoline-3-carboxylic acid |
|
 | | VLX | | Name: | (2S)-2-[(4R)-2-oxidanylidene-4-propyl-pyrrolidin-1-yl]butanamide | | Formula: | C11 H20 N2 O2 | | SMILES: | CCC[CH]1CN([CH](CC)C(N)=O)C(=O)C1 | | InChi: | InChI=1S/C11H20N2O2/c1-3-5-8-6-10(14)13(7-8)9(4-2)11(12)15/h8-9H,3-7H2,1-2H3,(H2,12,15)/t8-,9+/m1/s1 | | Definition date: | 2023-07-28 | | Last modified: | 2024-04-26 | | Release date: | 2024-05-01 | | Identifier: | (2~{S})-2-[(4~{R})-2-oxidanylidene-4-propyl-pyrrolidin-1-yl]butanamide |
|
 | | W2W | | Name: | 7-(1-cyclopropylpyrazol-4-yl)-2-[[2-fluoranyl-4-(4-methylpiperazin-1-yl)sulfonyl-phenyl]amino]-3-methyl-pyrido[1,2-a]pyrimidin-4-one | | Formula: | C26 H28 F N7 O3 S | | SMILES: | CN1CCN(CC1)[S](=O)(=O)c2ccc(NC3=C(C)C(=O)N4C=C(C=CC4=N3)c5cnn(c5)C6CC6)c(F)c2 | | InChi: | InChI=1S/C26H28FN7O3S/c1-17-25(29-23-7-6-21(13-22(23)27)38(36,37)32-11-9-31(2)10-12-32)30-24-8-3-18(15-33(24)26(17)35)19-14-28-34(16-19)20-4-5-20/h3,6-8,13-16,20,29H,4-5,9-12H2,1-2H3 | | Definition date: | 2023-04-26 | | Last modified: | 2024-04-26 | | Release date: | 2024-05-01 | | Identifier: | 7-(1-cyclopropylpyrazol-4-yl)-2-[[2-fluoranyl-4-(4-methylpiperazin-1-yl)sulfonyl-phenyl]amino]-3-methyl-pyrido[1,2-a]pyrimidin-4-one |
|
