![XVA XVA](https://data.pdbj.org/pdbjplus/data/cc/svg/XVA.svg) | XVA | Name: | 4-(difluoromethyl)-6-(2-{5-[2-(dimethylamino)ethyl]-2,3-difluorophenyl}ethyl)pyridin-2-amine | Formula: | C18 H21 F4 N3 | SMILES: | FC(F)c1cc(CCc2cc(CCN(C)C)cc(F)c2F)nc(N)c1 | InChi: | InChI=1S/C18H21F4N3/c1-25(2)6-5-11-7-12(17(20)15(19)8-11)3-4-14-9-13(18(21)22)10-16(23)24-14/h7-10,18H,3-6H2,1-2H3,(H2,23,24) | Definition date: | 2022-12-13 | Last modified: | 2023-10-06 | Release date: | 2023-10-11 | Identifier: | 4-(difluoromethyl)-6-(2-{5-[2-(dimethylamino)ethyl]-2,3-difluorophenyl}ethyl)pyridin-2-amine |
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![XVF XVF](https://data.pdbj.org/pdbjplus/data/cc/svg/XVF.svg) | XVF | Name: | 6-(2-{5-[2-(diethylamino)ethyl]-2,3-difluorophenyl}ethyl)-4-methylpyridin-2-amine | Formula: | C20 H27 F2 N3 | SMILES: | Cc1cc(CCc2cc(CCN(CC)CC)cc(F)c2F)nc(N)c1 | InChi: | InChI=1S/C20H27F2N3/c1-4-25(5-2)9-8-15-12-16(20(22)18(21)13-15)6-7-17-10-14(3)11-19(23)24-17/h10-13H,4-9H2,1-3H3,(H2,23,24) | Definition date: | 2022-12-13 | Last modified: | 2023-10-06 | Release date: | 2023-10-11 | Identifier: | 6-(2-{5-[2-(diethylamino)ethyl]-2,3-difluorophenyl}ethyl)-4-methylpyridin-2-amine |
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![XVK XVK](https://data.pdbj.org/pdbjplus/data/cc/svg/XVK.svg) | XVK | Name: | 6-(2-{2,3-difluoro-5-[2-(4-methylpiperazin-1-yl)ethyl]phenyl}ethyl)-4-methylpyridin-2-amine | Formula: | C21 H28 F2 N4 | SMILES: | Cc1cc(nc(N)c1)CCc1cc(CCN2CCN(C)CC2)cc(F)c1F | InChi: | InChI=1S/C21H28F2N4/c1-15-11-18(25-20(24)12-15)4-3-17-13-16(14-19(22)21(17)23)5-6-27-9-7-26(2)8-10-27/h11-14H,3-10H2,1-2H3,(H2,24,25) | Definition date: | 2022-12-13 | Last modified: | 2023-10-06 | Release date: | 2023-10-11 | Identifier: | 6-(2-{2,3-difluoro-5-[2-(4-methylpiperazin-1-yl)ethyl]phenyl}ethyl)-4-methylpyridin-2-amine |
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![XVO XVO](https://data.pdbj.org/pdbjplus/data/cc/svg/XVO.svg) | XVO | Name: | 6-(2-{5-[2-(dimethylamino)ethyl]-2,3-difluorophenyl}ethyl)pyridin-2-amine | Formula: | C17 H21 F2 N3 | SMILES: | Nc1cccc(CCc2cc(CCN(C)C)cc(F)c2F)n1 | InChi: | InChI=1S/C17H21F2N3/c1-22(2)9-8-12-10-13(17(19)15(18)11-12)6-7-14-4-3-5-16(20)21-14/h3-5,10-11H,6-9H2,1-2H3,(H2,20,21) | Definition date: | 2022-12-13 | Last modified: | 2023-10-06 | Release date: | 2023-10-11 | Identifier: | 6-(2-{5-[2-(dimethylamino)ethyl]-2,3-difluorophenyl}ethyl)pyridin-2-amine |
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![XVU XVU](https://data.pdbj.org/pdbjplus/data/cc/svg/XVU.svg) | XVU | Name: | 6-(2-{5-[2-(dimethylamino)ethyl]-2,3-difluorophenyl}ethyl)-4-methylpyridin-2-amine | Formula: | C18 H23 F2 N3 | SMILES: | Cc1cc(CCc2cc(CCN(C)C)cc(F)c2F)nc(N)c1 | InChi: | InChI=1S/C18H23F2N3/c1-12-8-15(22-17(21)9-12)5-4-14-10-13(6-7-23(2)3)11-16(19)18(14)20/h8-11H,4-7H2,1-3H3,(H2,21,22) | Definition date: | 2022-12-13 | Last modified: | 2023-10-06 | Release date: | 2023-10-11 | Identifier: | 6-(2-{5-[2-(dimethylamino)ethyl]-2,3-difluorophenyl}ethyl)-4-methylpyridin-2-amine |
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![XW5 XW5](https://data.pdbj.org/pdbjplus/data/cc/svg/XW5.svg) | XW5 | Name: | 6-(2-{5-[2-(dimethylamino)ethyl]-2,3-difluorophenyl}ethyl)-4-methoxypyridin-2-amine | Formula: | C18 H23 F2 N3 O | SMILES: | COc1cc(CCc2cc(CCN(C)C)cc(F)c2F)nc(N)c1 | InChi: | InChI=1S/C18H23F2N3O/c1-23(2)7-6-12-8-13(18(20)16(19)9-12)4-5-14-10-15(24-3)11-17(21)22-14/h8-11H,4-7H2,1-3H3,(H2,21,22) | Definition date: | 2022-12-13 | Last modified: | 2023-10-06 | Release date: | 2023-10-11 | Identifier: | 6-(2-{5-[2-(dimethylamino)ethyl]-2,3-difluorophenyl}ethyl)-4-methoxypyridin-2-amine |
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![V4I V4I](https://data.pdbj.org/pdbjplus/data/cc/svg/V4I.svg) | V4I | Name: | 3-[2-oxidanylidene-2-[[5-[[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]amino]ethyl]benzoic acid | Formula: | C19 H19 N7 O3 S | SMILES: | OC(=O)c1cccc(CC(=O)Nc2sc(N[CH]3CCN(C3)c4cccnn4)nn2)c1 | InChi: | InChI=1S/C19H19N7O3S/c27-16(10-12-3-1-4-13(9-12)17(28)29)22-19-25-24-18(30-19)21-14-6-8-26(11-14)15-5-2-7-20-23-15/h1-5,7,9,14H,6,8,10-11H2,(H,21,24)(H,28,29)(H,22,25,27)/t14-/m1/s1 | Definition date: | 2023-07-05 | Last modified: | 2023-10-06 | Release date: | 2023-10-11 | Identifier: | 3-[2-oxidanylidene-2-[[5-[[(3~{R})-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]amino]ethyl]benzoic acid |
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![YXT YXT](https://data.pdbj.org/pdbjplus/data/cc/svg/YXT.svg) | YXT | Name: | ralimetinib | Formula: | C24 H29 F N6 | SMILES: | Fc1ccc(cc1)c1nc([NH]c1c1ccc2nc(N)n(CC(C)(C)C)c2n1)C(C)(C)C | InChi: | InChI=1S/C24H29FN6/c1-23(2,3)13-31-20-17(28-22(31)26)12-11-16(27-20)19-18(14-7-9-15(25)10-8-14)29-21(30-19)24(4,5)6/h7-12H,13H2,1-6H3,(H2,26,28)(H,29,30) | Synonyms: | (5P)-5-[2-tert-butyl-4-(4-fluorophenyl)-1H-imidazol-5-yl]-3-(2,2-dimethylpropyl)-3H-imidazo[4,5-b]pyridin-2-amine | Definition date: | 2023-03-03 | Last modified: | 2023-10-06 | Release date: | 2023-10-11 | Identifier: | (5P)-5-[2-tert-butyl-4-(4-fluorophenyl)-1H-imidazol-5-yl]-3-(2,2-dimethylpropyl)-3H-imidazo[4,5-b]pyridin-2-amine |
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![V59 V59](https://data.pdbj.org/pdbjplus/data/cc/svg/V59.svg) | V59 | Name: | 2-(3-phenoxyphenyl)-N-[5-[[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]ethanamide | Formula: | C24 H23 N7 O2 S | SMILES: | O=C(Cc1cccc(Oc2ccccc2)c1)Nc3sc(N[CH]4CCN(C4)c5cccnn5)nn3 | InChi: | InChI=1S/C24H23N7O2S/c32-22(15-17-6-4-9-20(14-17)33-19-7-2-1-3-8-19)27-24-30-29-23(34-24)26-18-11-13-31(16-18)21-10-5-12-25-28-21/h1-10,12,14,18H,11,13,15-16H2,(H,26,29)(H,27,30,32)/t18-/m1/s1 | Definition date: | 2023-07-05 | Last modified: | 2023-10-06 | Release date: | 2023-10-11 | Identifier: | 2-(3-phenoxyphenyl)-~{N}-[5-[[(3~{R})-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]ethanamide |
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![X1D X1D](https://data.pdbj.org/pdbjplus/data/cc/svg/X1D.svg) | X1D | Name: | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-[(4-phenoxyphenyl)methyl]benzenesulfonamide | Formula: | C28 H21 F6 N O4 S | SMILES: | O=S(=O)(N(Cc1ccc(Oc2ccccc2)cc1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)c1ccccc1 | InChi: | InChI=1S/C28H21F6NO4S/c29-27(30,31)26(36,28(32,33)34)21-13-15-22(16-14-21)35(40(37,38)25-9-5-2-6-10-25)19-20-11-17-24(18-12-20)39-23-7-3-1-4-8-23/h1-18,36H,19H2 | Definition date: | 2023-05-31 | Last modified: | 2023-10-06 | Release date: | 2023-10-11 | Identifier: | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-[(4-phenoxyphenyl)methyl]benzenesulfonamide |
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![V80 V80](https://data.pdbj.org/pdbjplus/data/cc/svg/V80.svg) | V80 | Name: | 4-(2-{5-[2-(dimethylamino)ethyl]-2,3-difluorophenyl}ethyl)-6-methylpyrimidin-2-amine | Formula: | C17 H22 F2 N4 | SMILES: | Cc1cc(CCc2cc(CCN(C)C)cc(F)c2F)nc(N)n1 | InChi: | InChI=1S/C17H22F2N4/c1-11-8-14(22-17(20)21-11)5-4-13-9-12(6-7-23(2)3)10-15(18)16(13)19/h8-10H,4-7H2,1-3H3,(H2,20,21,22) | Definition date: | 2022-12-13 | Last modified: | 2023-10-06 | Release date: | 2023-10-11 | Identifier: | 4-(2-{5-[2-(dimethylamino)ethyl]-2,3-difluorophenyl}ethyl)-6-methylpyrimidin-2-amine |
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![U9L U9L](https://data.pdbj.org/pdbjplus/data/cc/svg/U9L.svg) | U9L | Name: | 1-[(3-chlorophenyl)methyl]-4-piperazin-1-yl-pyrrolo[3,2-c]quinoline | Formula: | C22 H21 Cl N4 | SMILES: | Clc1cccc(Cn2ccc3c(nc4ccccc4c23)N5CCNCC5)c1 | InChi: | InChI=1S/C22H21ClN4/c23-17-5-3-4-16(14-17)15-27-11-8-19-21(27)18-6-1-2-7-20(18)25-22(19)26-12-9-24-10-13-26/h1-8,11,14,24H,9-10,12-13,15H2 | Definition date: | 2023-01-31 | Last modified: | 2023-10-06 | Release date: | 2023-10-11 | Identifier: | 1-[(3-chlorophenyl)methyl]-4-piperazin-1-yl-pyrrolo[3,2-c]quinoline |
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![U9Q U9Q](https://data.pdbj.org/pdbjplus/data/cc/svg/U9Q.svg) | U9Q | Name: | 1-(3-chlorophenyl)sulfonyl-4-piperazin-1-yl-pyrrolo[3,2-c]quinoline | Formula: | C21 H19 Cl N4 O2 S | SMILES: | Clc1cccc(c1)[S](=O)(=O)n2ccc3c(nc4ccccc4c23)N5CCNCC5 | InChi: | InChI=1S/C21H19ClN4O2S/c22-15-4-3-5-16(14-15)29(27,28)26-11-8-18-20(26)17-6-1-2-7-19(17)24-21(18)25-12-9-23-10-13-25/h1-8,11,14,23H,9-10,12-13H2 | Definition date: | 2023-01-31 | Last modified: | 2023-10-06 | Release date: | 2023-10-11 | Identifier: | 1-(3-chlorophenyl)sulfonyl-4-piperazin-1-yl-pyrrolo[3,2-c]quinoline |
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![NFI NFI](https://data.pdbj.org/pdbjplus/data/cc/svg/NFI.svg) | NFI | Name: | 3-methyl-5-[(4-oxidanylidene-4-phenyl-butanoyl)amino]-1-benzofuran-2-carboxylic acid | Formula: | C20 H17 N O5 | SMILES: | Cc1c(oc2ccc(NC(=O)CCC(=O)c3ccccc3)cc12)C(O)=O | InChi: | InChI=1S/C20H17NO5/c1-12-15-11-14(7-9-17(15)26-19(12)20(24)25)21-18(23)10-8-16(22)13-5-3-2-4-6-13/h2-7,9,11H,8,10H2,1H3,(H,21,23)(H,24,25) | Definition date: | 2023-01-14 | Last modified: | 2023-10-06 | Release date: | 2023-10-11 | Identifier: | 3-methyl-5-[(4-oxidanylidene-4-phenyl-butanoyl)amino]-1-benzofuran-2-carboxylic acid |
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![ZOB ZOB](https://data.pdbj.org/pdbjplus/data/cc/svg/ZOB.svg) | ZOB | Name: | 6-{[(3,5-difluoropyridin-4-yl)methyl]amino}-N-(4-ethoxy-6-methylpyrimidin-2-yl)-2-methoxy-N-(2-methoxyethyl)pyridine-3-sulfonamide | Formula: | C22 H26 F2 N6 O5 S | SMILES: | O=S(=O)(N(CCOC)c1nc(C)cc(OCC)n1)c1ccc(NCc2c(F)cncc2F)nc1OC | InChi: | InChI=1S/C22H26F2N6O5S/c1-5-35-20-10-14(2)27-22(29-20)30(8-9-33-3)36(31,32)18-6-7-19(28-21(18)34-4)26-11-15-16(23)12-25-13-17(15)24/h6-7,10,12-13H,5,8-9,11H2,1-4H3,(H,26,28) | Definition date: | 2023-06-29 | Last modified: | 2023-09-29 | Release date: | 2023-10-04 | Identifier: | 6-{[(3,5-difluoropyridin-4-yl)methyl]amino}-N-(4-ethoxy-6-methylpyrimidin-2-yl)-2-methoxy-N-(2-methoxyethyl)pyridine-3-sulfonamide |
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![Z4I Z4I](https://data.pdbj.org/pdbjplus/data/cc/svg/Z4I.svg) | Z4I | Name: | 2-(benzylamino)-N'-(difluoroacetyl)pyrimidine-5-carbohydrazide | Formula: | C14 H13 F2 N5 O2 | SMILES: | FC(F)C(=O)NNC(=O)c1cnc(NCc2ccccc2)nc1 | InChi: | InChI=1S/C14H13F2N5O2/c15-11(16)13(23)21-20-12(22)10-7-18-14(19-8-10)17-6-9-4-2-1-3-5-9/h1-5,7-8,11H,6H2,(H,20,22)(H,21,23)(H,17,18,19) | Definition date: | 2023-03-06 | Last modified: | 2023-09-29 | Release date: | 2023-10-04 | Identifier: | 2-(benzylamino)-N'-(difluoroacetyl)pyrimidine-5-carbohydrazide |
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![X5K X5K](https://data.pdbj.org/pdbjplus/data/cc/svg/X5K.svg) | X5K | Name: | N-{3-[1-(4-{[3-(cyclopropylamino)-3-oxopropyl](methyl)amino}-6-{methyl[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]amino}-1,3,5-triazin-2-yl)piperidin-4-yl]propanoyl}-3-methyl-L-valyl-(4R)-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-L-prolinamide | Formula: | C48 H69 N13 O5 S | SMILES: | Cc1n(C)nc(C)c1CN(C)c1nc(nc(n1)N(C)CCC(=O)NC1CC1)N1CCC(CC1)CCC(=O)NC(C(=O)N1CC(O)CC1C(=O)NCc1ccc(cc1)c1scnc1C)C(C)(C)C | InChi: | InChI=1S/C48H69N13O5S/c1-29-37(31(3)59(9)56-29)27-58(8)46-53-45(57(7)21-20-40(64)51-35-15-16-35)54-47(55-46)60-22-18-32(19-23-60)12-17-39(63)52-42(48(4,5)6)44(66)61-26-36(62)24-38(61)43(65)49-25-33-10-13-34(14-11-33)41-30(2)50-28-67-41/h10-11,13-14,28,32,35-36,38,42,62H,12,15-27H2,1-9H3,(H,49,65)(H,51,64)(H,52,63)/t36-,38+,42-/m1/s1 | Definition date: | 2022-10-28 | Last modified: | 2023-09-29 | Release date: | 2023-10-04 | Identifier: | N-{3-[1-(4-{[3-(cyclopropylamino)-3-oxopropyl](methyl)amino}-6-{methyl[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]amino}-1,3,5-triazin-2-yl)piperidin-4-yl]propanoyl}-3-methyl-L-valyl-(4R)-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-L-prolinamide |
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![Z5H Z5H](https://data.pdbj.org/pdbjplus/data/cc/svg/Z5H.svg) | Z5H | Name: | N-methyl-1-{3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl}-N-[(thiophen-2-yl)methyl]methanamine | Formula: | C21 H25 N3 O S | SMILES: | CN(Cc1nc(no1)C1(CCCC1)c1ccc(C)cc1)Cc1cccs1 | InChi: | InChI=1S/C21H25N3OS/c1-16-7-9-17(10-8-16)21(11-3-4-12-21)20-22-19(25-23-20)15-24(2)14-18-6-5-13-26-18/h5-10,13H,3-4,11-12,14-15H2,1-2H3 | Definition date: | 2023-03-06 | Last modified: | 2023-09-29 | Release date: | 2023-10-04 | Identifier: | N-methyl-1-{3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl}-N-[(thiophen-2-yl)methyl]methanamine |
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![ZA6 ZA6](https://data.pdbj.org/pdbjplus/data/cc/svg/ZA6.svg) | ZA6 | Name: | (1S)-N-{[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}-N-methyl-1-(thiophen-2-yl)ethan-1-amine | Formula: | C23 H23 N3 O S | SMILES: | CC(N(C)Cc1nc(no1)C(c1ccccc1)c1ccccc1)c1cccs1 | InChi: | InChI=1S/C23H23N3OS/c1-17(20-14-9-15-28-20)26(2)16-21-24-23(25-27-21)22(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-15,17,22H,16H2,1-2H3/t17-/m0/s1 | Definition date: | 2023-03-07 | Last modified: | 2023-09-29 | Release date: | 2023-10-04 | Identifier: | (1S)-N-{[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}-N-methyl-1-(thiophen-2-yl)ethan-1-amine |
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![ZTY ZTY](https://data.pdbj.org/pdbjplus/data/cc/svg/ZTY.svg) | ZTY | Name: | (1R)-7-[5-[[(1R)-1,3-dimethyl-2-oxidanylidene-1H-3-benzazepin-7-yl]oxy]pentoxy]-1,3-dimethyl-1H-3-benzazepin-2-one | Formula: | C29 H34 N2 O4 | SMILES: | C[CH]1C(=O)N(C)C=Cc2cc(OCCCCCOc3ccc4[CH](C)C(=O)N(C)C=Cc4c3)ccc12 | InChi: | InChI=1S/C29H34N2O4/c1-20-26-10-8-24(18-22(26)12-14-30(3)28(20)32)34-16-6-5-7-17-35-25-9-11-27-21(2)29(33)31(4)15-13-23(27)19-25/h8-15,18-21H,5-7,16-17H2,1-4H3/t20-,21-/m1/s1 | Synonyms: | (1R,1'R)-7,7'-(pentane-1,5-diylbis(oxy))bis(1,3-dimethyl-1,3-dihydro-2H-benzo[d]azepin-2-one) | Definition date: | 2023-07-25 | Last modified: | 2023-09-29 | Release date: | 2023-10-04 | Identifier: | (1~{R})-7-[5-[[(1~{R})-1,3-dimethyl-2-oxidanylidene-1~{H}-3-benzazepin-7-yl]oxy]pentoxy]-1,3-dimethyl-1~{H}-3-benzazepin-2-one |
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![ZDF ZDF](https://data.pdbj.org/pdbjplus/data/cc/svg/ZDF.svg) | ZDF | Name: | N-ethyl-N-({3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl}methyl)-2-(1H-pyrazol-1-yl)ethan-1-amine | Formula: | C22 H29 N5 O | SMILES: | Cc1ccc(cc1)C1(CCCC1)c1nc(CN(CC)CCn2cccn2)on1 | InChi: | InChI=1S/C22H29N5O/c1-3-26(15-16-27-14-6-13-23-27)17-20-24-21(25-28-20)22(11-4-5-12-22)19-9-7-18(2)8-10-19/h6-10,13-14H,3-5,11-12,15-17H2,1-2H3 | Definition date: | 2023-03-08 | Last modified: | 2023-09-29 | Release date: | 2023-10-04 | Identifier: | N-ethyl-N-({3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl}methyl)-2-(1H-pyrazol-1-yl)ethan-1-amine |
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![ZDK ZDK](https://data.pdbj.org/pdbjplus/data/cc/svg/ZDK.svg) | ZDK | Name: | 1-{[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}-4-(methoxymethyl)piperidine | Formula: | C23 H27 N3 O2 | SMILES: | COCC1CCN(CC1)Cc1nc(no1)C(c1ccccc1)c1ccccc1 | InChi: | InChI=1S/C23H27N3O2/c1-27-17-18-12-14-26(15-13-18)16-21-24-23(25-28-21)22(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,18,22H,12-17H2,1H3 | Definition date: | 2023-03-08 | Last modified: | 2023-09-29 | Release date: | 2023-10-04 | Identifier: | 1-{[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}-4-(methoxymethyl)piperidine |
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![YGX YGX](https://data.pdbj.org/pdbjplus/data/cc/svg/YGX.svg) | YGX | Name: | (1~{S},2~{S},4~{S},5~{R})-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol | Formula: | C7 H14 O6 | SMILES: | OC[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O | InChi: | InChI=1S/C7H14O6/c8-1-2-3(9)5(11)7(13)6(12)4(2)10/h2-13H,1H2/t2-,3+,4-,5-,6-,7-/m0/s1 | Definition date: | 2023-06-15 | Last modified: | 2023-09-29 | Release date: | 2023-10-04 | Identifier: | (1~{S},2~{S},4~{S},5~{R})-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol |
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![WLW WLW](https://data.pdbj.org/pdbjplus/data/cc/svg/WLW.svg) | WLW | Name: | (7R,20P)-18-chloro-1-(4-fluorophenyl)-10-{[(2M)-2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy}-19-methyl-15-[2-(4-methylpiperazin-1-yl)ethyl]-7,8,15,16-tetrahydro-14H-17,20-etheno-9,13-(metheno)-6-oxa-2-thia-3,5,15-triazacyclooctadeca[1,2,3-cd]indene-7-carboxylic acid | Formula: | C49 H47 Cl F N7 O5 S | SMILES: | COc1ccccc1c1nccc(n1)COc1ccc2cc1CC(Oc1ncnc3sc(c(c13)c1ccc(CN(CCN3CCN(C)CC3)C2)c(Cl)c1C)c1ccc(F)cc1)C(=O)O | InChi: | InChI=1S/C49H47ClFN7O5S/c1-30-37-14-11-33(44(30)50)27-58(23-22-57-20-18-56(2)19-21-57)26-31-8-15-39(62-28-36-16-17-52-46(55-36)38-6-4-5-7-40(38)61-3)34(24-31)25-41(49(59)60)63-47-43-42(37)45(64-48(43)54-29-53-47)32-9-12-35(51)13-10-32/h4-17,24,29,41H,18-23,25-28H2,1-3H3,(H,59,60)/t41-/m1/s1 | Definition date: | 2022-09-28 | Last modified: | 2023-09-29 | Release date: | 2023-10-04 | Identifier: | (7R,20P)-18-chloro-1-(4-fluorophenyl)-10-{[(2M)-2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy}-19-methyl-15-[2-(4-methylpiperazin-1-yl)ethyl]-7,8,15,16-tetrahydro-14H-17,20-etheno-9,13-(metheno)-6-oxa-2-thia-3,5,15-triazacyclooctadeca[1,2,3-cd]indene-7-carboxylic acid |
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![TY6 TY6](https://data.pdbj.org/pdbjplus/data/cc/svg/TY6.svg) | TY6 | Name: | (2~{S},3~{R},4~{S},5~{S},6~{S})-6-[(2-azanylhydrazinyl)methyl]oxane-2,3,4,5-tetrol | Formula: | C6 H15 N3 O5 | SMILES: | NNNC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O | InChi: | InChI=1S/C6H15N3O5/c7-9-8-1-2-3(10)4(11)5(12)6(13)14-2/h2-6,8-13H,1,7H2/t2-,3+,4-,5+,6-/m0/s1 | Definition date: | 2023-05-11 | Last modified: | 2023-09-29 | Release date: | 2023-10-04 | Identifier: | (2~{S},3~{R},4~{S},5~{S},6~{S})-6-[(2-azanylhydrazinyl)methyl]oxane-2,3,4,5-tetrol |
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