![X5L X5L](https://data.pdbj.org/pdbjplus/data/cc/svg/X5L.svg) | X5L | Name: | (2~{S})-2-azanyl-6-[[(2~{R})-1-[[(1~{S})-2-methyl-1-sulfo-propyl]amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-6-oxidanylidene-hexanoic acid | Formula: | C13 H25 N3 O7 S2 | SMILES: | CC(C)[CH](NC(=O)[CH](CS)NC(=O)CCC[CH](N)C(O)=O)[S](O)(=O)=O | InChi: | InChI=1S/C13H25N3O7S2/c1-7(2)12(25(21,22)23)16-11(18)9(6-24)15-10(17)5-3-4-8(14)13(19)20/h7-9,12,24H,3-6,14H2,1-2H3,(H,15,17)(H,16,18)(H,19,20)(H,21,22,23)/t8-,9-,12-/m0/s1 | Definition date: | 2023-05-31 | Last modified: | 2024-06-07 | Release date: | 2024-06-12 | Identifier: | (2~{S})-2-azanyl-6-[[(2~{R})-1-[[(1~{S})-2-methyl-1-sulfo-propyl]amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-6-oxidanylidene-hexanoic acid |
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![W9N W9N](https://data.pdbj.org/pdbjplus/data/cc/svg/W9N.svg) | W9N | Name: | 1-{(1R,3r,5S)-3-[(3M)-4-methyl-3-{3-methyl-4-[(1-methyl-1H-benzimidazol-5-yl)oxy]phenyl}-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl}propan-1-one | Formula: | C31 H33 N7 O2 | SMILES: | Cn1cnc2cc(ccc12)Oc1ccc(cc1C)c1nn(c2ncnc(C)c21)C1CC2CCC(C1)N2C(=O)CC | InChi: | InChI=1S/C31H33N7O2/c1-5-28(39)37-21-7-8-22(37)14-23(13-21)38-31-29(19(3)32-16-33-31)30(35-38)20-6-11-27(18(2)12-20)40-24-9-10-26-25(15-24)34-17-36(26)4/h6,9-12,15-17,21-23H,5,7-8,13-14H2,1-4H3/t21-,22+,23+ | Definition date: | 2023-09-27 | Last modified: | 2024-06-07 | Release date: | 2024-06-12 | Identifier: | 1-{(1R,3r,5S)-3-[(3M)-4-methyl-3-{3-methyl-4-[(1-methyl-1H-benzimidazol-5-yl)oxy]phenyl}-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl}propan-1-one |
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![UJ0 UJ0](https://data.pdbj.org/pdbjplus/data/cc/svg/UJ0.svg) | UJ0 | Name: | N-[(1R)-1-[3,5-bis(fluoranyl)phenyl]-2-(cyclopentylamino)-2-oxidanylidene-ethyl]-N-cyclopropyl-prop-2-enamide | Formula: | C19 H22 F2 N2 O2 | SMILES: | Fc1cc(F)cc(c1)[CH](N(C2CC2)C(=O)C=C)C(=O)NC3CCCC3 | InChi: | InChI=1S/C19H22F2N2O2/c1-2-17(24)23(16-7-8-16)18(12-9-13(20)11-14(21)10-12)19(25)22-15-5-3-4-6-15/h2,9-11,15-16,18H,1,3-8H2,(H,22,25)/t18-/m1/s1 | Definition date: | 2023-06-07 | Last modified: | 2024-06-07 | Release date: | 2024-06-12 | Identifier: | ~{N}-[(1~{R})-1-[3,5-bis(fluoranyl)phenyl]-2-(cyclopentylamino)-2-oxidanylidene-ethyl]-~{N}-cyclopropyl-prop-2-enamide |
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![WRX WRX](https://data.pdbj.org/pdbjplus/data/cc/svg/WRX.svg) | WRX | Name: | (2~{S})-1-[(4-fluorophenyl)methylsulfonyl]-~{N}-[(2~{S})-3-(4-fluorophenyl)-1-oxidanylidene-1-(pyridin-3-ylmethylamino)propan-2-yl]piperidine-2-carboxamide | Formula: | C28 H30 F2 N4 O4 S | SMILES: | Fc1ccc(C[CH](NC(=O)[CH]2CCCCN2[S](=O)(=O)Cc3ccc(F)cc3)C(=O)NCc4cccnc4)cc1 | InChi: | InChI=1S/C28H30F2N4O4S/c29-23-10-6-20(7-11-23)16-25(27(35)32-18-22-4-3-14-31-17-22)33-28(36)26-5-1-2-15-34(26)39(37,38)19-21-8-12-24(30)13-9-21/h3-4,6-14,17,25-26H,1-2,5,15-16,18-19H2,(H,32,35)(H,33,36)/t25-,26-/m0/s1 | Definition date: | 2023-05-17 | Last modified: | 2024-06-07 | Release date: | 2024-06-12 | Identifier: | (2~{S})-1-[(4-fluorophenyl)methylsulfonyl]-~{N}-[(2~{S})-3-(4-fluorophenyl)-1-oxidanylidene-1-(pyridin-3-ylmethylamino)propan-2-yl]piperidine-2-carboxamide |
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![X8K X8K](https://data.pdbj.org/pdbjplus/data/cc/svg/X8K.svg) | X8K | Name: | 4-[6-(4-morpholin-4-ylcarbonylphenyl)imidazo[1,2-a]pyridin-3-yl]benzenecarbonitrile | Formula: | C25 H20 N4 O2 | SMILES: | O=C(N1CCOCC1)c2ccc(cc2)c3ccc4ncc(n4c3)c5ccc(cc5)C#N | InChi: | InChI=1S/C25H20N4O2/c26-15-18-1-3-20(4-2-18)23-16-27-24-10-9-22(17-29(23)24)19-5-7-21(8-6-19)25(30)28-11-13-31-14-12-28/h1-10,16-17H,11-14H2 | Definition date: | 2023-06-06 | Last modified: | 2024-06-07 | Release date: | 2024-06-12 | Identifier: | 4-[6-(4-morpholin-4-ylcarbonylphenyl)imidazo[1,2-a]pyridin-3-yl]benzenecarbonitrile |
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![Y5U Y5U](https://data.pdbj.org/pdbjplus/data/cc/svg/Y5U.svg) | Y5U | Name: | (2M,2'M)-2,2'-(selenophene-2,5-diyl)di(1H-benzimidazole-6-carboximidamide) | Formula: | C20 H16 N8 Se | SMILES: | N=C(N)c1ccc2nc([NH]c2c1)c1ccc([se]1)c1[NH]c2cc(ccc2n1)C(=N)N | InChi: | InChI=1S/C20H16N8Se/c21-17(22)9-1-3-11-13(7-9)27-19(25-11)15-5-6-16(29-15)20-26-12-4-2-10(18(23)24)8-14(12)28-20/h1-8H,(H3,21,22)(H3,23,24)(H,25,27)(H,26,28) | Definition date: | 2023-06-12 | Last modified: | 2024-06-07 | Release date: | 2024-06-12 | Identifier: | (2M,2'M)-2,2'-(selenophene-2,5-diyl)di(1H-benzimidazole-6-carboximidamide) |
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![WS5 WS5](https://data.pdbj.org/pdbjplus/data/cc/svg/WS5.svg) | WS5 | Name: | (2~{S})-1-[(4-fluorophenyl)methylsulfonyl]-~{N}-[(2~{S})-4-methyl-1-oxidanylidene-1-(pyridin-3-ylmethylamino)pentan-2-yl]piperidine-2-carboxamide | Formula: | C25 H33 F N4 O4 S | SMILES: | CC(C)C[CH](NC(=O)[CH]1CCCCN1[S](=O)(=O)Cc2ccc(F)cc2)C(=O)NCc3cccnc3 | InChi: | InChI=1S/C25H33FN4O4S/c1-18(2)14-22(24(31)28-16-20-6-5-12-27-15-20)29-25(32)23-7-3-4-13-30(23)35(33,34)17-19-8-10-21(26)11-9-19/h5-6,8-12,15,18,22-23H,3-4,7,13-14,16-17H2,1-2H3,(H,28,31)(H,29,32)/t22-,23-/m0/s1 | Definition date: | 2023-05-17 | Last modified: | 2024-06-07 | Release date: | 2024-06-12 | Identifier: | (2~{S})-1-[(4-fluorophenyl)methylsulfonyl]-~{N}-[(2~{S})-4-methyl-1-oxidanylidene-1-(pyridin-3-ylmethylamino)pentan-2-yl]piperidine-2-carboxamide |
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![UK9 UK9](https://data.pdbj.org/pdbjplus/data/cc/svg/UK9.svg) | UK9 | Name: | 7,8-bis(oxidanyl)-2-phenyl-chromen-4-one | Formula: | C15 H10 O4 | SMILES: | Oc1ccc2C(=O)C=C(Oc2c1O)c3ccccc3 | InChi: | InChI=1S/C15H10O4/c16-11-7-6-10-12(17)8-13(19-15(10)14(11)18)9-4-2-1-3-5-9/h1-8,16,18H | Definition date: | 2023-09-06 | Last modified: | 2024-06-07 | Release date: | 2024-06-12 | Identifier: | 7,8-bis(oxidanyl)-2-phenyl-chromen-4-one |
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![WC5 WC5](https://data.pdbj.org/pdbjplus/data/cc/svg/WC5.svg) | WC5 | Name: | PROTOPORPHYRIN(CF3)2 CONTAINING FE | Formula: | C32 H26 F6 Fe N4 O4 | SMILES: | CC1=C(CCC(O)=O)C2=NC1=Cc3n4[Fe][N]5C(=CC6=NC(=Cc4c(C)c3C(F)(F)F)C(=C6C(F)(F)F)C)C(=C(CCC(O)=O)C5=C2)C | InChi: | InChI=1S/C32H28F6N4O4.Fe/c1-13-17(5-7-27(43)44)23-12-24-18(6-8-28(45)46)14(2)20(40-24)11-26-30(32(36,37)38)16(4)22(42-26)9-21-15(3)29(31(33,34)35)25(41-21)10-19(13)39-23 | Definition date: | 2023-09-22 | Last modified: | 2024-06-07 | Release date: | 2024-06-12 |
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![XB3 XB3](https://data.pdbj.org/pdbjplus/data/cc/svg/XB3.svg) | XB3 | Name: | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4S)-5-[(1R,3S,3aS,13R)-3-([1,1'-biphenyl]-4-yl)-1-hydroxy-10,11-dimethyl-4,6-dioxo-2,3,5,6-tetrahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name) | Formula: | C42 H47 N9 O16 P2 | SMILES: | Cc1cc2c(cc1C)N1C(O)CC(c3ccc(cc3)c3ccccc3)C11C(=O)NC(=O)N=C1N2CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O | InChi: | InChI=1S/C42H47N9O16P2/c1-20-12-26-27(13-21(20)2)51-31(54)14-25(24-10-8-23(9-11-24)22-6-4-3-5-7-22)42(51)39(47-41(59)48-40(42)58)49(26)15-28(52)33(55)29(53)16-64-68(60,61)67-69(62,63)65-17-30-34(56)35(57)38(66-30)50-19-46-32-36(43)44-18-45-37(32)50/h3-13,18-19,25,28-31,33-35,38,52-57H,14-17H2,1-2H3,(H,60,61)(H,62,63)(H2,43,44,45)(H,48,58,59)/t25-,28-,29+,30+,31+,33-,34+,35+,38+,42-/m0/s1 | Definition date: | 2022-11-09 | Last modified: | 2024-06-07 | Release date: | 2024-06-12 | Identifier: | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4S)-5-[(1R,3S,3aS,13R)-3-([1,1'-biphenyl]-4-yl)-1-hydroxy-10,11-dimethyl-4,6-dioxo-2,3,5,6-tetrahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name) |
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![XB6 XB6](https://data.pdbj.org/pdbjplus/data/cc/svg/XB6.svg) | XB6 | Name: | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4S)-5-{5-[3-([1,1'-biphenyl]-4-yl)propanoyl]-7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl}-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name) | Formula: | C42 H47 N9 O16 P2 | SMILES: | Cc1cc2c(cc1C)N(CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC1OC(n3cnc4c(N)ncnc43)C(O)C1O)C=1NC(=O)NC(=O)C=1N2C(=O)CCc1ccc(cc1)c1ccccc1 | InChi: | InChI=1S/C42H47N9O16P2/c1-21-14-26-27(15-22(21)2)51(31(54)13-10-23-8-11-25(12-9-23)24-6-4-3-5-7-24)33-39(47-42(59)48-40(33)58)49(26)16-28(52)34(55)29(53)17-64-68(60,61)67-69(62,63)65-18-30-35(56)36(57)41(66-30)50-20-46-32-37(43)44-19-45-38(32)50/h3-9,11-12,14-15,19-20,28-30,34-36,41,52-53,55-57H,10,13,16-18H2,1-2H3,(H,60,61)(H,62,63)(H2,43,44,45)(H2,47,48,58,59)/t28-,29+,30+,34-,35+,36+,41+/m0/s1 | Definition date: | 2022-11-09 | Last modified: | 2024-06-07 | Release date: | 2024-06-12 | Identifier: | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4S)-5-{5-[3-([1,1'-biphenyl]-4-yl)propanoyl]-7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl}-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name) |
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![XBW XBW](https://data.pdbj.org/pdbjplus/data/cc/svg/XBW.svg) | XBW | Name: | ~{N}-(phenylmethyl)pyridine-2-carboxamide | Formula: | C13 H12 N2 O | SMILES: | O=C(NCc1ccccc1)c2ccccn2 | InChi: | InChI=1S/C13H12N2O/c16-13(12-8-4-5-9-14-12)15-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,15,16) | Definition date: | 2023-06-06 | Last modified: | 2024-06-07 | Release date: | 2024-06-12 | Identifier: | ~{N}-(phenylmethyl)pyridine-2-carboxamide |
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![WZF WZF](https://data.pdbj.org/pdbjplus/data/cc/svg/WZF.svg) | WZF | Name: | 7-(2-phenylethoxy)quinazolin-2-amine | Formula: | C16 H15 N3 O | SMILES: | Nc1ncc2ccc(OCCc3ccccc3)cc2n1 | InChi: | InChI=1S/C16H15N3O/c17-16-18-11-13-6-7-14(10-15(13)19-16)20-9-8-12-4-2-1-3-5-12/h1-7,10-11H,8-9H2,(H2,17,18,19) | Definition date: | 2023-05-24 | Last modified: | 2024-06-07 | Release date: | 2024-06-12 | Identifier: | 7-(2-phenylethoxy)quinazolin-2-amine |
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![YG8 YG8](https://data.pdbj.org/pdbjplus/data/cc/svg/YG8.svg) | YG8 | Name: | [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-imidazol-1-yl-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate | Formula: | C18 H25 N7 O13 P2 | SMILES: | Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC2OC(n3cncc3)C(O)C2O)C(O)C1O | InChi: | InChI=1S/C18H25N7O13P2/c19-15-10-16(22-5-21-15)25(7-23-10)18-14(29)12(27)9(37-18)4-35-40(32,33)38-39(30,31)34-3-8-11(26)13(28)17(36-8)24-2-1-20-6-24/h1-2,5-9,11-14,17-18,26-29H,3-4H2,(H,30,31)(H,32,33)(H2,19,21,22)/t8-,9-,11-,12-,13-,14-,17-,18-/m1/s1 | Definition date: | 2023-12-04 | Last modified: | 2024-06-07 | Release date: | 2024-06-12 | Identifier: | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2R,3S,4R,5R)-3,4-dihydroxy-5-(1H-imidazol-1-yl)oxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name) |
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![XHT XHT](https://data.pdbj.org/pdbjplus/data/cc/svg/XHT.svg) | XHT | Name: | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S,3R,4S)-2,3,4-trihydroxy-5-[(1R,3R,3aS,13R)-1-hydroxy-10,11-dimethyl-3-{3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl}-4,6-dioxo-2,3,5,6-tetrahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]pentyl dihydrogen diphosphate (non-preferred name) | Formula: | C40 H46 N12 O17 P2 S | SMILES: | Cc1nnc(NC(=O)c2cccc(c2)C2CC(O)N3c4cc(C)c(C)cc4N(CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC4OC(n5cnc6c(N)ncnc65)C(O)C4O)C4=NC(=O)NC(=O)C432)s1 | InChi: | InChI=1S/C40H46N12O17P2S/c1-16-7-22-23(8-17(16)2)52-27(55)10-21(19-5-4-6-20(9-19)34(59)45-39-49-48-18(3)72-39)40(52)36(46-38(61)47-37(40)60)50(22)11-24(53)29(56)25(54)12-66-70(62,63)69-71(64,65)67-13-26-30(57)31(58)35(68-26)51-15-44-28-32(41)42-14-43-33(28)51/h4-9,14-15,21,24-27,29-31,35,53-58H,10-13H2,1-3H3,(H,62,63)(H,64,65)(H2,41,42,43)(H,45,49,59)(H,47,60,61)/t21-,24+,25+,26-,27-,29-,30-,31-,35-,40+/m1/s1 | Definition date: | 2022-11-21 | Last modified: | 2024-06-07 | Release date: | 2024-06-12 | Identifier: | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S,3R,4S)-2,3,4-trihydroxy-5-[(1R,3R,3aS,13R)-1-hydroxy-10,11-dimethyl-3-{3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl}-4,6-dioxo-2,3,5,6-tetrahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]pentyl dihydrogen diphosphate (non-preferred name) |
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![XHX XHX](https://data.pdbj.org/pdbjplus/data/cc/svg/XHX.svg) | XHX | Name: | 3-[(1R,2S)-2-(cyclobutylamino)cyclopropyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide | Formula: | C17 H20 N4 O S | SMILES: | Cc1nnc(NC(=O)c2cccc(c2)C2CC2NC2CCC2)s1 | InChi: | InChI=1S/C17H20N4OS/c1-10-20-21-17(23-10)19-16(22)12-5-2-4-11(8-12)14-9-15(14)18-13-6-3-7-13/h2,4-5,8,13-15,18H,3,6-7,9H2,1H3,(H,19,21,22)/t14-,15+/m1/s1 | Definition date: | 2022-11-21 | Last modified: | 2024-06-07 | Release date: | 2024-06-12 | Identifier: | 3-[(1R,2S)-2-(cyclobutylamino)cyclopropyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide |
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![X2R X2R](https://data.pdbj.org/pdbjplus/data/cc/svg/X2R.svg) | X2R | Name: | (2~{S})-2-azanyl-6-[[(2~{R})-1-[[(1~{R})-2-methyl-1-sulfo-propyl]amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-6-oxidanylidene-hexanoic acid | Formula: | C13 H25 N3 O7 S2 | SMILES: | CC(C)[CH](NC(=O)[CH](CS)NC(=O)CCC[CH](N)C(O)=O)[S](O)(=O)=O | InChi: | InChI=1S/C13H25N3O7S2/c1-7(2)12(25(21,22)23)16-11(18)9(6-24)15-10(17)5-3-4-8(14)13(19)20/h7-9,12,24H,3-6,14H2,1-2H3,(H,15,17)(H,16,18)(H,19,20)(H,21,22,23)/t8-,9-,12+/m0/s1 | Definition date: | 2023-05-31 | Last modified: | 2024-06-07 | Release date: | 2024-06-12 | Identifier: | (2~{S})-2-azanyl-6-[[(2~{R})-1-[[(1~{R})-2-methyl-1-sulfo-propyl]amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-6-oxidanylidene-hexanoic acid |
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![W4E W4E](https://data.pdbj.org/pdbjplus/data/cc/svg/W4E.svg) | W4E | Name: | (1S)-6-methoxy-2-methyl-7-phenoxy-1-[(4-phenoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline | Formula: | C30 H29 N O3 | SMILES: | COc1cc2CCN(C)[CH](Cc3ccc(Oc4ccccc4)cc3)c2cc1Oc5ccccc5 | InChi: | InChI=1S/C30H29NO3/c1-31-18-17-23-20-29(32-2)30(34-25-11-7-4-8-12-25)21-27(23)28(31)19-22-13-15-26(16-14-22)33-24-9-5-3-6-10-24/h3-16,20-21,28H,17-19H2,1-2H3/t28-/m0/s1 | Synonyms: | SG-094 | Definition date: | 2023-04-26 | Last modified: | 2024-06-07 | Release date: | 2024-06-12 | Identifier: | (1~{S})-6-methoxy-2-methyl-7-phenoxy-1-[(4-phenoxyphenyl)methyl]-3,4-dihydro-1~{H}-isoquinoline |
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![JA6 JA6](https://data.pdbj.org/pdbjplus/data/cc/svg/JA6.svg) | JA6 | Name: | (2R)-N-cyclopentyl-2-[cyclopropyl(ethanoyl)amino]-2-(4-fluorophenyl)ethanamide | Formula: | C18 H23 F N2 O2 | SMILES: | CC(=O)N(C1CC1)[CH](C(=O)NC2CCCC2)c3ccc(F)cc3 | InChi: | InChI=1S/C18H23FN2O2/c1-12(22)21(16-10-11-16)17(13-6-8-14(19)9-7-13)18(23)20-15-4-2-3-5-15/h6-9,15-17H,2-5,10-11H2,1H3,(H,20,23)/t17-/m1/s1 | Definition date: | 2021-05-07 | Last modified: | 2024-06-07 | Release date: | 2024-06-12 | Identifier: | (2~{R})-~{N}-cyclopentyl-2-[cyclopropyl(ethanoyl)amino]-2-(4-fluorophenyl)ethanamide |
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![A1ALB A1ALB](https://data.pdbj.org/pdbjplus/data/cc/svg/A1ALB.svg) | A1ALB | Name: | 3-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline | Formula: | C12 H9 N3 O | SMILES: | Nc1cccc(c1)c1nc2ncccc2o1 | InChi: | InChI=1S/C12H9N3O/c13-9-4-1-3-8(7-9)12-15-11-10(16-12)5-2-6-14-11/h1-7H,13H2 | Definition date: | 2024-04-08 | Last modified: | 2024-06-07 | Release date: | 2024-06-12 | Identifier: | 3-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline |
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![A1AOH A1AOH](https://data.pdbj.org/pdbjplus/data/cc/svg/A1AOH.svg) | A1AOH | Name: | (2R)-N-[(1P,7S,9S,13R,20M)-21-ethyl-20-{2-[(1S)-1-methoxyethyl]pyridin-3-yl}-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-methyl-2-(N-methylacetamido)butanamide (non-preferred name) | Formula: | C42 H55 N7 O6 S | SMILES: | CC(=O)N(C)C(C(C)C)C(=O)NC1Cc2nc(cs2)c2ccc3n(CC)c(c4cccnc4C(C)OC)c(CC(C)(C)COC(=O)C4CCCN(N4)C1=O)c3c2 | InChi: | InChI=1S/C42H55N7O6S/c1-10-48-34-16-15-27-19-29(34)30(38(48)28-13-11-17-43-36(28)25(4)54-9)21-42(6,7)23-55-41(53)31-14-12-18-49(46-31)40(52)32(20-35-44-33(27)22-56-35)45-39(51)37(24(2)3)47(8)26(5)50/h11,13,15-17,19,22,24-25,31-32,37,46H,10,12,14,18,20-21,23H2,1-9H3,(H,45,51)/t25-,31+,32-,37?/m0/s1 | Definition date: | 2024-04-19 | Last modified: | 2024-06-07 | Release date: | 2024-06-12 | Identifier: | (2R)-N-[(1P,7S,9S,13R,20M)-21-ethyl-20-{2-[(1S)-1-methoxyethyl]pyridin-3-yl}-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-methyl-2-(N-methylacetamido)butanamide (non-preferred name) |
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![A1D46 A1D46](https://data.pdbj.org/pdbjplus/data/cc/svg/A1D46.svg) | A1D46 | Name: | 3-(1~{H}-benzimidazol-5-ylmethylidene)-4-piperidin-4-yloxy-1~{H}-indol-2-one | Formula: | C21 H20 N4 O2 | SMILES: | O=C1Nc2cccc(OC3CCNCC3)c2C1=Cc4ccc5[nH]cnc5c4 | InChi: | InChI=1S/C21H20N4O2/c26-21-15(10-13-4-5-16-18(11-13)24-12-23-16)20-17(25-21)2-1-3-19(20)27-14-6-8-22-9-7-14/h1-5,10-12,14,22H,6-9H2,(H,23,24)(H,25,26) | Synonyms: | (Z)-3-((1H-benzo[d]imidazol-5-yl)methylene)-4-(piperidin-4-yloxy)indolin-2-one | Definition date: | 2023-12-21 | Last modified: | 2024-06-07 | Release date: | 2024-06-12 | Identifier: | 3-(1~{H}-benzimidazol-5-ylmethylidene)-4-piperidin-4-yloxy-1~{H}-indol-2-one |
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![A1D47 A1D47](https://data.pdbj.org/pdbjplus/data/cc/svg/A1D47.svg) | A1D47 | Name: | (3~{Z})-3-(1~{H}-benzimidazol-5-ylmethylidene)-4-(oxan-4-yloxy)-1~{H}-indol-2-one | Formula: | C21 H19 N3 O3 | SMILES: | O=C1Nc2cccc(OC3CCOCC3)c2C1=Cc4ccc5[nH]cnc5c4 | InChi: | InChI=1S/C21H19N3O3/c25-21-15(10-13-4-5-16-18(11-13)23-12-22-16)20-17(24-21)2-1-3-19(20)27-14-6-8-26-9-7-14/h1-5,10-12,14H,6-9H2,(H,22,23)(H,24,25)/b15-10- | Synonyms: | (Z)-3-((1H-benzo[d]imidazol-5-yl)methylene)-4-((tetrahydro-2H-pyran-4-yl)oxy)indolin-2-one | Definition date: | 2023-12-21 | Last modified: | 2024-06-07 | Release date: | 2024-06-12 | Identifier: | (3~{Z})-3-(1~{H}-benzimidazol-5-ylmethylidene)-4-(oxan-4-yloxy)-1~{H}-indol-2-one |
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![A1D48 A1D48](https://data.pdbj.org/pdbjplus/data/cc/svg/A1D48.svg) | A1D48 | Name: | (3~{Z})-3-(1~{H}-benzimidazol-5-ylmethylidene)-4-oxidanyl-1~{H}-indol-2-one | Formula: | C16 H11 N3 O2 | SMILES: | Oc1cccc2NC(=O)C(=Cc3ccc4[nH]cnc4c3)c12 | InChi: | InChI=1S/C16H11N3O2/c20-14-3-1-2-12-15(14)10(16(21)19-12)6-9-4-5-11-13(7-9)18-8-17-11/h1-8,20H,(H,17,18)(H,19,21)/b10-6- | Synonyms: | (Z)-3-((1H-benzo[d]imidazol-5-yl)methylene)-4-hydroxyindolin-2-one | Definition date: | 2023-12-21 | Last modified: | 2024-06-07 | Release date: | 2024-06-12 | Identifier: | (3~{Z})-3-(1~{H}-benzimidazol-5-ylmethylidene)-4-oxidanyl-1~{H}-indol-2-one |
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![A1D49 A1D49](https://data.pdbj.org/pdbjplus/data/cc/svg/A1D49.svg) | A1D49 | Name: | (5~{S})-1-(3~{H}-benzimidazol-5-yl)-5-(4-propoxyphenyl)imidazolidin-2-one | Formula: | C19 H20 N4 O2 | SMILES: | CCCOc1ccc(cc1)[CH]2CNC(=O)N2c3ccc4nc[nH]c4c3 | InChi: | InChI=1S/C19H20N4O2/c1-2-9-25-15-6-3-13(4-7-15)18-11-20-19(24)23(18)14-5-8-16-17(10-14)22-12-21-16/h3-8,10,12,18H,2,9,11H2,1H3,(H,20,24)(H,21,22)/t18-/m1/s1 | Synonyms: | PQ912 | Definition date: | 2023-12-22 | Last modified: | 2024-06-07 | Release date: | 2024-06-12 | Identifier: | (5~{S})-1-(3~{H}-benzimidazol-5-yl)-5-(4-propoxyphenyl)imidazolidin-2-one |
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