![A1AON A1AON](https://data.pdbj.org/pdbjplus/data/cc/svg/A1AON.svg) | A1AON | Name: | (2S)-1-(3,4-dichlorophenoxy)-3-(4-{[4-(trifluoromethyl)pyrimidin-2-yl]amino}piperidin-1-yl)propan-2-ol | Formula: | C19 H21 Cl2 F3 N4 O2 | SMILES: | OC(CN1CCC(CC1)Nc1nc(ccn1)C(F)(F)F)COc1ccc(Cl)c(Cl)c1 | InChi: | InChI=1S/C19H21Cl2F3N4O2/c20-15-2-1-14(9-16(15)21)30-11-13(29)10-28-7-4-12(5-8-28)26-18-25-6-3-17(27-18)19(22,23)24/h1-3,6,9,12-13,29H,4-5,7-8,10-11H2,(H,25,26,27)/t13-/m0/s1 | Definition date: | 2024-04-19 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | (2S)-1-(3,4-dichlorophenoxy)-3-(4-{[4-(trifluoromethyl)pyrimidin-2-yl]amino}piperidin-1-yl)propan-2-ol |
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![A1API A1API](https://data.pdbj.org/pdbjplus/data/cc/svg/A1API.svg) | A1API | Name: | (4P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-{(1E)-3-[(2-methoxyethyl)amino]-3-oxoprop-1-en-1-yl}-1H-pyrrole-3-carboxamide | Formula: | C26 H24 Cl2 F2 N4 O4 | SMILES: | O=C(NC(CC(N)=O)c1ccc(F)c(Cl)c1)c1c[NH]c(/C=C/C(=O)NCCOC)c1c1ccc(Cl)cc1F | InChi: | InChI=1S/C26H24Cl2F2N4O4/c1-38-9-8-32-24(36)7-6-21-25(16-4-3-15(27)11-20(16)30)17(13-33-21)26(37)34-22(12-23(31)35)14-2-5-19(29)18(28)10-14/h2-7,10-11,13,22,33H,8-9,12H2,1H3,(H2,31,35)(H,32,36)(H,34,37)/b7-6+/t22-/m0/s1 | Definition date: | 2024-04-22 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | (4P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-{(1E)-3-[(2-methoxyethyl)amino]-3-oxoprop-1-en-1-yl}-1H-pyrrole-3-carboxamide |
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![A1H1O A1H1O](https://data.pdbj.org/pdbjplus/data/cc/svg/A1H1O.svg) | A1H1O | Name: | (1R,5S,9S,16R,20R,24S,28S,35R)-22-(Dihydroxyphosphoryloxy)tridecacyclo[22.14.1.15,20.19,16.128,35.02,23.04,21.06,19.08,17.010,15.025,38.027,36.029,34]dotetraconta-2(23),3,6,8(17),10,12,14,18,21,25,27(36),29,31,33,37-pentadecaen-3-ol | Formula: | C42 H31 O5 P | SMILES: | Oc1c2[CH]3C[CH](c4cc5[CH]6C[CH](c7ccccc67)c5cc34)c2c(O[P](O)(O)=O)c8[CH]9C[CH](c%10cc%11[CH]%12C[CH](c%13ccccc%12%13)c%11cc9%10)c18 | InChi: | InChI=1S/C42H31O5P/c43-41-37-33-15-35(31-13-27-23-9-21(25(27)11-29(31)33)17-5-1-3-7-19(17)23)39(37)42(47-48(44,45)46)40-36-16-34(38(40)41)30-12-26-22-10-24(28(26)14-32(30)36)20-8-4-2-6-18(20)22/h1-8,11-14,21-24,33-36,43H,9-10,15-16H2,(H2,44,45,46)/t21-,22+,23+,24-,33-,34+,35+,36- | Definition date: | 2024-01-03 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 |
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![A1ACD A1ACD](https://data.pdbj.org/pdbjplus/data/cc/svg/A1ACD.svg) | 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 |
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![A1AD8 A1AD8](https://data.pdbj.org/pdbjplus/data/cc/svg/A1AD8.svg) | 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 |
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![A1AD9 A1AD9](https://data.pdbj.org/pdbjplus/data/cc/svg/A1AD9.svg) | 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 |
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![A1H9I A1H9I](https://data.pdbj.org/pdbjplus/data/cc/svg/A1H9I.svg) | 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 |
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![A1H9R A1H9R](https://data.pdbj.org/pdbjplus/data/cc/svg/A1H9R.svg) | 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 |
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![A1H9U A1H9U](https://data.pdbj.org/pdbjplus/data/cc/svg/A1H9U.svg) | 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 |
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![A1H9V A1H9V](https://data.pdbj.org/pdbjplus/data/cc/svg/A1H9V.svg) | 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 |
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![A1H9W A1H9W](https://data.pdbj.org/pdbjplus/data/cc/svg/A1H9W.svg) | 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 |
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![A1H9X A1H9X](https://data.pdbj.org/pdbjplus/data/cc/svg/A1H9X.svg) | 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 |
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![HWF HWF](https://data.pdbj.org/pdbjplus/data/cc/svg/HWF.svg) | 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 |
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![IJM IJM](https://data.pdbj.org/pdbjplus/data/cc/svg/IJM.svg) | 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 |
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![YOP YOP](https://data.pdbj.org/pdbjplus/data/cc/svg/YOP.svg) | 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 |
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![9R4 9R4](https://data.pdbj.org/pdbjplus/data/cc/svg/9R4.svg) | 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 |
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![LYT LYT](https://data.pdbj.org/pdbjplus/data/cc/svg/LYT.svg) | 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 |
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![R5P R5P](https://data.pdbj.org/pdbjplus/data/cc/svg/R5P.svg) | 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 |
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![1CC 1CC](https://data.pdbj.org/pdbjplus/data/cc/svg/1CC.svg) | 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) |
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![U5U U5U](https://data.pdbj.org/pdbjplus/data/cc/svg/U5U.svg) | U5U | Name: | ~{N},~{N}-dimethyl-7-phenyl-3-thia-1$l^{4},5,6$l^{4}-triaza-2$l^{3}-palladatricyclo[6.4.0.0^{2,6}]dodeca-1(12),4,6,8,10-pentaen-4-amine | Formula: | C15 H15 N4 Pd S | SMILES: | CN(C)C(=NN=C(c1ccccc1)c2ccccn2)S[Pd] | InChi: | InChI=1S/C15H16N4S.Pd/c1-19(2)15(20)18-17-14(12-8-4-3-5-9-12)13-10-6-7-11-16-13 | Definition date: | 2023-05-17 | Last modified: | 2024-04-26 | Release date: | 2024-05-01 | Identifier: | ~{N},~{N}-dimethyl-7-phenyl-3-thia-1$l^{4},5,6$l^{4}-triaza-2$l^{3}-palladatricyclo[6.4.0.0^{2,6}]dodeca-1(12),4,6,8,10-pentaen-4-amine |
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![WRU WRU](https://data.pdbj.org/pdbjplus/data/cc/svg/WRU.svg) | WRU | Name: | Mianserin | Formula: | C18 H20 N2 | SMILES: | CN1CC2N(CC1)c1ccccc1Cc1ccccc21 | InChi: | InChI=1S/C18H20N2/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19/h2-9,18H,10-13H2,1H3/t18-/m1/s1 | Definition date: | 2023-10-10 | Last modified: | 2024-04-26 | Release date: | 2024-05-01 | Identifier: | (5S,14bS)-2-methyl-1,2,3,4,10,14b-hexahydrodibenzo[c,f]pyrazino[1,2-a]azepine |
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![X8L X8L](https://data.pdbj.org/pdbjplus/data/cc/svg/X8L.svg) | X8L | Name: | L-gulono-1,4-lactone | Formula: | C6 H10 O6 | SMILES: | OC[CH](O)[CH]1OC(=O)[CH](O)[CH]1O | InChi: | InChI=1S/C6H10O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-5,7-10H,1H2/t2-,3+,4-,5+/m0/s1 | Synonyms: | (3S,4R,5R)-5-[(1S)-1,2-bis(oxidanyl)ethyl]-3,4-bis(oxidanyl)oxolan-2-one | Definition date: | 2023-10-25 | Last modified: | 2024-04-26 | Release date: | 2024-05-01 | Identifier: | (3~{S},4~{R},5~{R})-5-[(1~{S})-1,2-bis(oxidanyl)ethyl]-3,4-bis(oxidanyl)oxolan-2-one |
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![UKX UKX](https://data.pdbj.org/pdbjplus/data/cc/svg/UKX.svg) | UKX | Name: | (2S)-2-(2-oxidanylidenepyrrolidin-1-yl)butanamide | Formula: | C8 H14 N2 O2 | SMILES: | CC[CH](N1CCCC1=O)C(N)=O | InChi: | InChI=1S/C8H14N2O2/c1-2-6(8(9)12)10-5-3-4-7(10)11/h6H,2-5H2,1H3,(H2,9,12)/t6-/m0/s1 | Synonyms: | levetiracetam | Definition date: | 2023-06-09 | Last modified: | 2024-04-26 | Release date: | 2024-05-01 | Identifier: | (2~{S})-2-(2-oxidanylidenepyrrolidin-1-yl)butanamide |
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![X8X X8X](https://data.pdbj.org/pdbjplus/data/cc/svg/X8X.svg) | X8X | Name: | L-galactono-1,4-lactone | Formula: | C6 H10 O6 | SMILES: | OC[CH](O)[CH]1OC(=O)[CH](O)[CH]1O | InChi: | InChI=1S/C6H10O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-5,7-10H,1H2/t2-,3-,4-,5+/m0/s1 | Synonyms: | (3S,4S,5R)-5-[(1S)-1,2-bis(oxidanyl)ethyl]-3,4-bis(oxidanyl)oxolan-2-one | Definition date: | 2023-10-25 | Last modified: | 2024-04-26 | Release date: | 2024-05-01 | Identifier: | (3~{S},4~{S},5~{R})-5-[(1~{S})-1,2-bis(oxidanyl)ethyl]-3,4-bis(oxidanyl)oxolan-2-one |
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![Y6E Y6E](https://data.pdbj.org/pdbjplus/data/cc/svg/Y6E.svg) | Y6E | Name: | 1-(4-{6-fluoro-3-[4-(methanesulfonyl)piperazine-1-carbonyl]quinolin-4-yl}phenyl)cyclopropane-1-carbonitrile | Formula: | C25 H23 F N4 O3 S | SMILES: | O=S(C)(=O)N1CCN(CC1)C(=O)c1cnc2ccc(F)cc2c1c1ccc(cc1)C1(C#N)CC1 | InChi: | InChI=1S/C25H23FN4O3S/c1-34(32,33)30-12-10-29(11-13-30)24(31)21-15-28-22-7-6-19(26)14-20(22)23(21)17-2-4-18(5-3-17)25(16-27)8-9-25/h2-7,14-15H,8-13H2,1H3 | Definition date: | 2023-06-12 | Last modified: | 2024-04-26 | Release date: | 2024-05-01 | Identifier: | 1-(4-{6-fluoro-3-[4-(methanesulfonyl)piperazine-1-carbonyl]quinolin-4-yl}phenyl)cyclopropane-1-carbonitrile |
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