![W8O W8O](https://data.pdbj.org/pdbjplus/data/cc/svg/W8O.svg) | W8O | Name: | 3-[(2~{S},3~{R})-2-(3,4-dimethoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]propan-1-ol | Formula: | C21 H26 O6 | SMILES: | COc1ccc(cc1OC)[CH]2Oc3c(OC)cc(CCCO)cc3[CH]2CO | InChi: | InChI=1S/C21H26O6/c1-24-17-7-6-14(11-18(17)25-2)20-16(12-23)15-9-13(5-4-8-22)10-19(26-3)21(15)27-20/h6-7,9-11,16,20,22-23H,4-5,8,12H2,1-3H3/t16-,20+/m0/s1 | Definition date: | 2023-09-21 | Last modified: | 2024-08-23 | Release date: | 2024-08-28 | Identifier: | 3-[(2~{S},3~{R})-2-(3,4-dimethoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]propan-1-ol |
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![WCN WCN](https://data.pdbj.org/pdbjplus/data/cc/svg/WCN.svg) | WCN | Name: | (4P)-N-{5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl}-4-(2-methoxyphenyl)pyridine-3-carboxamide | Formula: | C22 H17 Cl N4 O3 S | SMILES: | COc1ccccc1c1ccncc1C(=O)Nc1nnc(OCc2ccc(Cl)cc2)s1 | InChi: | InChI=1S/C22H17ClN4O3S/c1-29-19-5-3-2-4-17(19)16-10-11-24-12-18(16)20(28)25-21-26-27-22(31-21)30-13-14-6-8-15(23)9-7-14/h2-12H,13H2,1H3,(H,25,26,28) | Definition date: | 2023-05-11 | Last modified: | 2024-08-23 | Release date: | 2024-08-28 | Identifier: | (4P)-N-{5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl}-4-(2-methoxyphenyl)pyridine-3-carboxamide |
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![X1Z X1Z](https://data.pdbj.org/pdbjplus/data/cc/svg/X1Z.svg) | X1Z | Name: | ~{N}-[(1~{R})-1-cyclohexyl-2-[[(2~{R})-3-methoxy-1-oxidanylidene-1-[[1-[(1~{S})-1-oxidanyl-2-oxidanylidene-2-(1,3-thiazol-2-ylmethylamino)ethyl]cyclobutyl]amino]propan-2-yl]amino]-2-oxidanylidene-ethyl]-4,4-bis(fluoranyl)cyclohexane-1-carboxamide | Formula: | C29 H43 F2 N5 O6 S | SMILES: | COC[CH](NC(=O)[CH](NC(=O)C1CCC(F)(F)CC1)C2CCCCC2)C(=O)NC3(CCC3)[CH](O)C(=O)NCc4sccn4 | InChi: | InChI=1S/C29H43F2N5O6S/c1-42-17-20(25(39)36-28(10-5-11-28)23(37)27(41)33-16-21-32-14-15-43-21)34-26(40)22(18-6-3-2-4-7-18)35-24(38)19-8-12-29(30,31)13-9-19/h14-15,18-20,22-23,37H,2-13,16-17H2,1H3,(H,33,41)(H,34,40)(H,35,38)(H,36,39)/t20-,22-,23-/m1/s1 | Definition date: | 2023-10-19 | Last modified: | 2024-08-23 | Release date: | 2024-08-28 | Identifier: | ~{N}-[(1~{R})-1-cyclohexyl-2-[[(2~{R})-3-methoxy-1-oxidanylidene-1-[[1-[(1~{S})-1-oxidanyl-2-oxidanylidene-2-(1,3-thiazol-2-ylmethylamino)ethyl]cyclobutyl]amino]propan-2-yl]amino]-2-oxidanylidene-ethyl]-4,4-bis(fluoranyl)cyclohexane-1-carboxamide |
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![YKK YKK](https://data.pdbj.org/pdbjplus/data/cc/svg/YKK.svg) | YKK | Name: | 2-methyl-5-oxidanyl-cyclohexa-2,5-diene-1,4-dione | Formula: | C7 H6 O3 | SMILES: | CC1=CC(=O)C(=CC1=O)O | InChi: | InChI=1S/C7H6O3/c1-4-2-6(9)7(10)3-5(4)8/h2-3,10H,1H3 | Definition date: | 2023-12-05 | Last modified: | 2024-08-23 | Release date: | 2024-08-28 | Identifier: | 2-methyl-5-oxidanyl-cyclohexa-2,5-diene-1,4-dione |
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![YMR YMR](https://data.pdbj.org/pdbjplus/data/cc/svg/YMR.svg) | YMR | Name: | 2-methylcyclohexa-2,5-diene-1,4-dione | Formula: | C7 H6 O2 | SMILES: | CC1=CC(=O)C=CC1=O | InChi: | InChI=1S/C7H6O2/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3 | Definition date: | 2023-12-06 | Last modified: | 2024-08-23 | Release date: | 2024-08-28 | Identifier: | 2-methylcyclohexa-2,5-diene-1,4-dione |
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![ZT3 ZT3](https://data.pdbj.org/pdbjplus/data/cc/svg/ZT3.svg) | ZT3 | Name: | N-(4-tert-butylphenyl)-7,8-dimethyl-5,11-dihydro-6H-pyrido[2,3-b][1,5]benzodiazepine-6-carboxamide | Formula: | C25 H28 N4 O | SMILES: | CC(C)(C)c1ccc(cc1)NC(=O)N1Cc2cccnc2Nc2ccc(C)c(C)c21 | InChi: | InChI=1S/C25H28N4O/c1-16-8-13-21-22(17(16)2)29(15-18-7-6-14-26-23(18)28-21)24(30)27-20-11-9-19(10-12-20)25(3,4)5/h6-14H,15H2,1-5H3,(H,26,28)(H,27,30) | Definition date: | 2023-07-03 | Last modified: | 2024-08-23 | Release date: | 2024-08-28 | Identifier: | N-(4-tert-butylphenyl)-7,8-dimethyl-5,11-dihydro-6H-pyrido[2,3-b][1,5]benzodiazepine-6-carboxamide |
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![A1H0P A1H0P](https://data.pdbj.org/pdbjplus/data/cc/svg/A1H0P.svg) | A1H0P | Name: | 3-O-sulfo-alpha-D-mannopyranose | Formula: | C6 H12 O9 S | SMILES: | OC[CH]1O[CH](O)[CH](O)[CH](O[S](O)(=O)=O)[CH]1O | InChi: | InChI=1S/C6H12O9S/c7-1-2-3(8)5(15-16(11,12)13)4(9)6(10)14-2/h2-10H,1H2,(H,11,12,13)/t2-,3-,4+,5+,6+/m1/s1 | Synonyms: | [(2R,3R,4S,5S,6S)-2-(hydroxymethyl)-3,5,6-tris(oxidanyl)oxan-4-yl] hydrogen sulfate | Definition date: | 2023-12-16 | Last modified: | 2024-08-23 | Release date: | 2024-08-28 | Identifier: | [(2~{R},3~{R},4~{S},5~{S},6~{S})-2-(hydroxymethyl)-3,5,6-tris(oxidanyl)oxan-4-yl] hydrogen sulfate |
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![A1H6O A1H6O](https://data.pdbj.org/pdbjplus/data/cc/svg/A1H6O.svg) | A1H6O | Name: | (2S,4R)-1-[(2R)-2-[(1-fluoranylcyclopropyl)carbonylamino]-3-methyl-3-[[cis-4-(morpholin-4-ylmethyl)cyclohexyl]methylsulfanyl]butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide | Formula: | C37 H52 F N5 O5 S2 | SMILES: | Cc1ncsc1c2ccc(CNC(=O)[CH]3C[CH](O)CN3C(=O)[CH](NC(=O)C4(F)CC4)C(C)(C)SC[CH]5CC[CH](CC5)CN6CCOCC6)cc2 | InChi: | InChI=1S/C37H52FN5O5S2/c1-24-31(49-23-40-24)28-10-8-25(9-11-28)19-39-33(45)30-18-29(44)21-43(30)34(46)32(41-35(47)37(38)12-13-37)36(2,3)50-22-27-6-4-26(5-7-27)20-42-14-16-48-17-15-42/h8-11,23,26-27,29-30,32,44H,4-7,12-22H2,1-3H3,(H,39,45)(H,41,47)/t26-,27+,29-,30+,32-/m1/s1 | Definition date: | 2024-03-26 | Last modified: | 2024-08-23 | Release date: | 2024-08-28 | Identifier: | (2~{S},4~{R})-1-[(2~{R})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3-methyl-3-[[4-(morpholin-4-ylmethyl)cyclohexyl]methylsulfanyl]butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide |
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![A1H9F A1H9F](https://data.pdbj.org/pdbjplus/data/cc/svg/A1H9F.svg) | A1H9F | Name: | (2S,4R)-1-[(2R)-2-[(1-fluoranylcyclopropyl)carbonylamino]-3-methyl-3-[[trans-4-(morpholin-4-ylmethyl)cyclohexyl]methylsulfanyl]butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide | Formula: | C37 H52 F N5 O5 S2 | SMILES: | Cc1ncsc1c2ccc(CNC(=O)[CH]3C[CH](O)CN3C(=O)[CH](NC(=O)C4(F)CC4)C(C)(C)SC[CH]5CC[CH](CC5)CN6CCOCC6)cc2 | InChi: | InChI=1S/C37H52FN5O5S2/c1-24-31(49-23-40-24)28-10-8-25(9-11-28)19-39-33(45)30-18-29(44)21-43(30)34(46)32(41-35(47)37(38)12-13-37)36(2,3)50-22-27-6-4-26(5-7-27)20-42-14-16-48-17-15-42/h8-11,23,26-27,29-30,32,44H,4-7,12-22H2,1-3H3,(H,39,45)(H,41,47)/t26-,27-,29-,30+,32-/m1/s1 | Definition date: | 2024-04-24 | Last modified: | 2024-08-23 | Release date: | 2024-08-28 | Identifier: | (2~{S},4~{R})-1-[(2~{R})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3-methyl-3-[[4-(morpholin-4-ylmethyl)cyclohexyl]methylsulfanyl]butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide |
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![A1IEY A1IEY](https://data.pdbj.org/pdbjplus/data/cc/svg/A1IEY.svg) | A1IEY | Name: | (5-chloranylpyridin-3-yl) 2-fluoranyl-4-phenylmethoxy-benzoate | Formula: | C19 H13 Cl F N O3 | SMILES: | Fc1cc(OCc2ccccc2)ccc1C(=O)Oc3cncc(Cl)c3 | InChi: | InChI=1S/C19H13ClFNO3/c20-14-8-16(11-22-10-14)25-19(23)17-7-6-15(9-18(17)21)24-12-13-4-2-1-3-5-13/h1-11H,12H2 | Definition date: | 2024-06-17 | Last modified: | 2024-08-23 | Release date: | 2024-08-28 | Identifier: | (5-chloranylpyridin-3-yl) 2-fluoranyl-4-phenylmethoxy-benzoate |
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![A1LWB A1LWB](https://data.pdbj.org/pdbjplus/data/cc/svg/A1LWB.svg) | A1LWB | Name: | 4-farnesyl-3,5-dihydroxy-6-methylphthalide | Formula: | C24 H32 O4 | SMILES: | CC(C)=CCCC(C)=CCCC(C)=CCc1c(O)c(C)c2COC(=O)c2c1O | InChi: | InChI=1S/C24H32O4/c1-15(2)8-6-9-16(3)10-7-11-17(4)12-13-19-22(25)18(5)20-14-28-24(27)21(20)23(19)26/h8,10,12,25-26H,6-7,9,11,13-14H2,1-5H3 | Synonyms: | 4-methyl-5,7-bis(oxidanyl)-6-[(2~{E},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienyl]-3~{H}-2-benzofuran-1-one | Definition date: | 2024-01-15 | Last modified: | 2024-08-23 | Release date: | 2024-08-28 | Identifier: | 4-methyl-5,7-bis(oxidanyl)-6-[(2~{E},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienyl]-3~{H}-2-benzofuran-1-one |
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![HXI HXI](https://data.pdbj.org/pdbjplus/data/cc/svg/HXI.svg) | HXI | Name: | (1R,3S,5Z)-4-methylidene-5-[(E)-3-[3-[7,7,7-tris(fluoranyl)-6-oxidanyl-6-(trifluoromethyl)hept-3-ynyl]phenyl]but-2-enylidene]cyclohexane-1,3-diol | Formula: | C25 H26 F6 O3 | SMILES: | CC(=CC=C1C[CH](O)C[CH](O)C1=C)c2cccc(CCC#CCC(O)(C(F)(F)F)C(F)(F)F)c2 | InChi: | InChI=1S/C25H26F6O3/c1-16(10-11-20-14-21(32)15-22(33)17(20)2)19-9-6-8-18(13-19)7-4-3-5-12-23(34,24(26,27)28)25(29,30)31/h6,8-11,13,21-22,32-34H,2,4,7,12,14-15H2,1H3/b16-10+,20-11-/t21-,22+/m1/s1 | Definition date: | 2024-07-31 | Last modified: | 2024-08-16 | Release date: | 2024-08-21 | Identifier: | (1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-3-[3-[7,7,7-tris(fluoranyl)-6-oxidanyl-6-(trifluoromethyl)hept-3-ynyl]phenyl]but-2-enylidene]cyclohexane-1,3-diol |
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![VUZ VUZ](https://data.pdbj.org/pdbjplus/data/cc/svg/VUZ.svg) | VUZ | Name: | ~{N}-[3-[[6-chloranyl-2-[(1-ethylpyrazol-4-yl)amino]quinazolin-4-yl]amino]phenyl]prop-2-enamide | Formula: | C22 H20 Cl N7 O | SMILES: | CCn1cc(Nc2nc(Nc3cccc(NC(=O)C=C)c3)c4cc(Cl)ccc4n2)cn1 | InChi: | InChI=1S/C22H20ClN7O/c1-3-20(31)25-15-6-5-7-16(11-15)26-21-18-10-14(23)8-9-19(18)28-22(29-21)27-17-12-24-30(4-2)13-17/h3,5-13H,1,4H2,2H3,(H,25,31)(H2,26,27,28,29) | Definition date: | 2023-08-21 | Last modified: | 2024-08-16 | Release date: | 2024-08-21 | Identifier: | ~{N}-[3-[[6-chloranyl-2-[(1-ethylpyrazol-4-yl)amino]quinazolin-4-yl]amino]phenyl]prop-2-enamide |
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![VW6 VW6](https://data.pdbj.org/pdbjplus/data/cc/svg/VW6.svg) | VW6 | Name: | 4-[2-[6-[2-[2-(2-fluoranylethoxy)ethoxy]ethoxy]pyridin-3-yl]ethyl]-~{N}-methyl-aniline | Formula: | C20 H27 F N2 O3 | SMILES: | CNc1ccc(CCc2ccc(OCCOCCOCCF)nc2)cc1 | InChi: | InChI=1S/C20H27FN2O3/c1-22-19-7-4-17(5-8-19)2-3-18-6-9-20(23-16-18)26-15-14-25-13-12-24-11-10-21/h4-9,16,22H,2-3,10-15H2,1H3 | Definition date: | 2023-08-23 | Last modified: | 2024-08-16 | Release date: | 2024-08-21 | Identifier: | 4-[2-[6-[2-[2-(2-fluoranylethoxy)ethoxy]ethoxy]pyridin-3-yl]ethyl]-~{N}-methyl-aniline |
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![A1AIY A1AIY](https://data.pdbj.org/pdbjplus/data/cc/svg/A1AIY.svg) | A1AIY | Name: | (8R)-8-[4-(trifluoromethyl)phenyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-5,8-dihydro-1,7-naphthyridine-7(6H)-carboxamide | Formula: | C19 H17 F6 N3 O | SMILES: | FC(F)(F)c1ccc(cc1)C1c2ncccc2CCN1C(=O)NC(C)C(F)(F)F | InChi: | InChI=1S/C19H17F6N3O/c1-11(18(20,21)22)27-17(29)28-10-8-12-3-2-9-26-15(12)16(28)13-4-6-14(7-5-13)19(23,24)25/h2-7,9,11,16H,8,10H2,1H3,(H,27,29)/t11-,16+/m0/s1 | Definition date: | 2024-03-26 | Last modified: | 2024-08-16 | Release date: | 2024-08-21 | Identifier: | (8R)-8-[4-(trifluoromethyl)phenyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-5,8-dihydro-1,7-naphthyridine-7(6H)-carboxamide |
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![A1ATS A1ATS](https://data.pdbj.org/pdbjplus/data/cc/svg/A1ATS.svg) | A1ATS | Name: | N-(2,5-difluoro-4-{[(1s,3S)-3-(1-methyl-1H-pyrazol-3-yl)cyclobutyl][(8R)-pyrazolo[1,5-a]pyrazin-4-yl]amino}phenyl)-2-(5-fluoropyridin-2-yl)-3-oxo-2,3-dihydropyridazine-4-carboxamide | Formula: | C30 H23 F3 N10 O2 | SMILES: | Cn1ccc(n1)C1CC(C1)N(c1nccn2nccc21)c1cc(F)c(cc1F)NC(=O)C1=CC=NN(c2ncc(F)cc2)C1=O | InChi: | InChI=1S/C30H23F3N10O2/c1-40-10-6-23(39-40)17-12-19(13-17)42(28-25-5-8-36-41(25)11-9-34-28)26-15-21(32)24(14-22(26)33)38-29(44)20-4-7-37-43(30(20)45)27-3-2-18(31)16-35-27/h2-11,14-17,19H,12-13H2,1H3,(H,38,44)/t17-,19? | Definition date: | 2024-05-30 | Last modified: | 2024-08-16 | Release date: | 2024-08-21 | Identifier: | N-(2,5-difluoro-4-{[(1s,3S)-3-(1-methyl-1H-pyrazol-3-yl)cyclobutyl][(8R)-pyrazolo[1,5-a]pyrazin-4-yl]amino}phenyl)-2-(5-fluoropyridin-2-yl)-3-oxo-2,3-dihydropyridazine-4-carboxamide |
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![XKM XKM](https://data.pdbj.org/pdbjplus/data/cc/svg/XKM.svg) | XKM | Name: | 3-(2,6-difluoro-4-{[(4P)-5-{[(2S)-hexan-2-yl]sulfanyl}-4-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]methoxy}phenyl)prop-2-yn-1-yl (1-methylpiperidin-4-yl)carbamate | Formula: | C30 H36 F2 N6 O3 S | SMILES: | CN1CCC(NC(=O)OCC#Cc2c(F)cc(OCc3nnc(SC(C)CCCC)n3c3cccnc3)cc2F)CC1 | InChi: | InChI=1S/C30H36F2N6O3S/c1-4-5-8-21(2)42-29-36-35-28(38(29)23-9-6-13-33-19-23)20-41-24-17-26(31)25(27(32)18-24)10-7-16-40-30(39)34-22-11-14-37(3)15-12-22/h6,9,13,17-19,21-22H,4-5,8,11-12,14-16,20H2,1-3H3,(H,34,39)/t21-/m0/s1 | Definition date: | 2023-11-03 | Last modified: | 2024-08-16 | Release date: | 2024-08-21 | Identifier: | 3-(2,6-difluoro-4-{[(4P)-5-{[(2S)-hexan-2-yl]sulfanyl}-4-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]methoxy}phenyl)prop-2-yn-1-yl (1-methylpiperidin-4-yl)carbamate |
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![XNU XNU](https://data.pdbj.org/pdbjplus/data/cc/svg/XNU.svg) | XNU | Name: | N-[3-(2,5-difluoro-4-{[(4M)-5-(hexylsulfanyl)-4-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]methoxy}phenyl)prop-2-yn-1-yl]propanamide | Formula: | C26 H29 F2 N5 O2 S | SMILES: | CCC(=O)NCC#Cc1cc(F)c(cc1F)OCc1nnc(SCCCCCC)n1c1cnccc1 | InChi: | InChI=1S/C26H29F2N5O2S/c1-3-5-6-7-14-36-26-32-31-24(33(26)20-11-9-12-29-17-20)18-35-23-16-21(27)19(15-22(23)28)10-8-13-30-25(34)4-2/h9,11-12,15-17H,3-7,13-14,18H2,1-2H3,(H,30,34) | Definition date: | 2023-11-06 | Last modified: | 2024-08-16 | Release date: | 2024-08-21 | Identifier: | N-[3-(2,5-difluoro-4-{[(4M)-5-(hexylsulfanyl)-4-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]methoxy}phenyl)prop-2-yn-1-yl]propanamide |
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![XO8 XO8](https://data.pdbj.org/pdbjplus/data/cc/svg/XO8.svg) | XO8 | Name: | 2-[(4P)-4-(4-{[(4P)-5-(cyclohexylsulfanyl)-4-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]methoxy}-2,5-difluorophenyl)-2H-1,2,3-triazol-2-yl]-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethan-1-one | Formula: | C30 H34 F2 N8 O3 S | SMILES: | O=C(Cn1ncc(n1)c1cc(F)c(OCc2nnc(SC3CCCCC3)n2c2cccnc2)cc1F)N1CC(C)OC(C)C1 | InChi: | InChI=1S/C30H34F2N8O3S/c1-19-15-38(16-20(2)43-19)29(41)17-39-34-14-26(37-39)23-11-25(32)27(12-24(23)31)42-18-28-35-36-30(44-22-8-4-3-5-9-22)40(28)21-7-6-10-33-13-21/h6-7,10-14,19-20,22H,3-5,8-9,15-18H2,1-2H3/t19-,20+ | Definition date: | 2023-11-06 | Last modified: | 2024-08-16 | Release date: | 2024-08-21 | Identifier: | 2-[(4P)-4-(4-{[(4P)-5-(cyclohexylsulfanyl)-4-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]methoxy}-2,5-difluorophenyl)-2H-1,2,3-triazol-2-yl]-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethan-1-one |
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![A1AE7 A1AE7](https://data.pdbj.org/pdbjplus/data/cc/svg/A1AE7.svg) | A1AE7 | Name: | (6M)-6-(6-fluoro-1H-indol-3-yl)-1-[2-(piperazin-1-yl)ethyl]-1H-benzotriazole | Formula: | C20 H21 F N6 | SMILES: | Fc1cc2[NH]cc(c3ccc4nnn(CCN5CCNCC5)c4c3)c2cc1 | InChi: | InChI=1S/C20H21FN6/c21-15-2-3-16-17(13-23-19(16)12-15)14-1-4-18-20(11-14)27(25-24-18)10-9-26-7-5-22-6-8-26/h1-4,11-13,22-23H,5-10H2 | Definition date: | 2024-02-21 | Last modified: | 2024-08-16 | Release date: | 2024-08-21 | Identifier: | (6M)-6-(6-fluoro-1H-indol-3-yl)-1-[2-(piperazin-1-yl)ethyl]-1H-benzotriazole |
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![A1AE9 A1AE9](https://data.pdbj.org/pdbjplus/data/cc/svg/A1AE9.svg) | A1AE9 | Name: | (S)-1-(6-benzyl-3-(4-(1,2,3,4-tetrahydroquinoline-1-carbonyl)phenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-5(4H)-yl)ethan-1-one | Formula: | C31 H30 N4 O2 | SMILES: | CC(=O)N1Cc2c(cnn2CC1Cc1ccccc1)c1ccc(cc1)C(=O)N1CCCc2ccccc21 | InChi: | InChI=1S/C31H30N4O2/c1-22(36)34-21-30-28(19-32-35(30)20-27(34)18-23-8-3-2-4-9-23)24-13-15-26(16-14-24)31(37)33-17-7-11-25-10-5-6-12-29(25)33/h2-6,8-10,12-16,19,27H,7,11,17-18,20-21H2,1H3/t27-/m0/s1 | Synonyms: | 1-[(6S,8R)-6-benzyl-3-[4-(3,4-dihydroquinoline-1(2H)-carbonyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-5(4H)-yl]ethan-1-one | Definition date: | 2024-02-22 | Last modified: | 2024-08-16 | Release date: | 2024-08-21 | Identifier: | 1-[(6S,8R)-6-benzyl-3-[4-(3,4-dihydroquinoline-1(2H)-carbonyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-5(4H)-yl]ethan-1-one |
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![A1AEY A1AEY](https://data.pdbj.org/pdbjplus/data/cc/svg/A1AEY.svg) | A1AEY | Name: | (6M)-1-[(imidazolidin-1-yl)methyl]-6-(1H-indol-3-yl)-1H-benzotriazole | Formula: | C18 H18 N6 | SMILES: | c1cc(cc2c1nnn2CN1CCNC1)c1c[NH]c2ccccc21 | InChi: | InChI=1S/C18H18N6/c1-2-4-16-14(3-1)15(10-20-16)13-5-6-17-18(9-13)24(22-21-17)12-23-8-7-19-11-23/h1-6,9-10,19-20H,7-8,11-12H2 | Definition date: | 2024-02-16 | Last modified: | 2024-08-16 | Release date: | 2024-08-21 | Identifier: | (6M)-1-[(imidazolidin-1-yl)methyl]-6-(1H-indol-3-yl)-1H-benzotriazole |
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![A1AH8 A1AH8](https://data.pdbj.org/pdbjplus/data/cc/svg/A1AH8.svg) | A1AH8 | Name: | (5P)-1-[(imidazolidin-1-yl)methyl]-5-(1H-indol-3-yl)-1H-1,2,3-benzotriazole | Formula: | C18 H18 N6 | SMILES: | c1c(ccc2c1nnn2CN1CCNC1)c1c[NH]c2ccccc21 | InChi: | InChI=1S/C18H18N6/c1-2-4-16-14(3-1)15(10-20-16)13-5-6-18-17(9-13)21-22-24(18)12-23-8-7-19-11-23/h1-6,9-10,19-20H,7-8,11-12H2 | Definition date: | 2024-03-14 | Last modified: | 2024-08-16 | Release date: | 2024-08-21 | Identifier: | (5P)-1-[(imidazolidin-1-yl)methyl]-5-(1H-indol-3-yl)-1H-1,2,3-benzotriazole |
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![KIX KIX](https://data.pdbj.org/pdbjplus/data/cc/svg/KIX.svg) | KIX | Name: | 1,1-bis(oxidanyl)-3,4-dihydro-2,1$l^{4}-benzoxaborinine | Formula: | C8 H10 B O3 | SMILES: | O[B]1(O)OCCc2ccccc12 | InChi: | InChI=1S/C8H10BO3/c10-9(11)8-4-2-1-3-7(8)5-6-12-9/h1-4,10-11H,5-6H2 | Synonyms: | 3,4-dihydro-1H-1l4-benzo[c][1,2]oxaborinine-1,1-diol | Definition date: | 2023-08-14 | Last modified: | 2024-08-16 | Release date: | 2024-08-21 | Identifier: | 1,1-bis(oxidanyl)-3,4-dihydro-2,1$l^{4}-benzoxaborinine |
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![O5R O5R](https://data.pdbj.org/pdbjplus/data/cc/svg/O5R.svg) | O5R | Name: | (2~{R},3~{S},4~{S},5~{S},6~{R})-2-[(2~{S},3~{R},4~{R},5~{S},6~{R})-5-[(2~{R},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-methyl-6-octoxy-3-oxidanyl-oxan-4-yl]oxy-6-methyl-oxane-3,4,5-triol | Formula: | C26 H48 O14 | SMILES: | CCCCCCCCO[CH]1O[CH](C)[CH](O)[CH](O[CH]2O[CH](C)[CH](O)[CH](O)[CH]2O)[CH]1O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O | InChi: | InChI=1S/C26H48O14/c1-4-5-6-7-8-9-10-35-26-23(40-25-21(34)19(32)17(30)14(11-27)38-25)22(16(29)13(3)37-26)39-24-20(33)18(31)15(28)12(2)36-24/h12-34H,4-11H2,1-3H3/t12-,13+,14-,15-,16-,17+,18+,19+,20+,21-,22-,23+,24-,25-,26-/m1/s1 | Definition date: | 2023-08-21 | Last modified: | 2024-08-16 | Release date: | 2024-08-21 | Identifier: | (2~{R},3~{S},4~{S},5~{S},6~{R})-2-[(2~{S},3~{R},4~{R},5~{S},6~{R})-5-[(2~{R},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-methyl-6-octoxy-3-oxidanyl-oxan-4-yl]oxy-6-methyl-oxane-3,4,5-triol |
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