![V17 V17](https://data.pdbj.org/pdbjplus/data/cc/svg/V17.svg) | V17 | Name: | (4-{[4-(1-benzothiophen-2-yl)pyrimidin-2-yl]amino}phenyl)[4-(pyrrolidin-1-yl)piperidin-1-yl]methanone | Formula: | C28 H29 N5 O S | SMILES: | C1(CCN(CC1)C(c2ccc(cc2)Nc3nccc(n3)c4cc5c(s4)cccc5)=O)N6CCCC6 | InChi: | InChI=1S/C28H29N5OS/c34-27(33-17-12-23(13-18-33)32-15-3-4-16-32)20-7-9-22(10-8-20)30-28-29-14-11-24(31-28)26-19-21-5-1-2-6-25(21)35-26/h1-2,5-11,14,19,23H,3-4,12-13,15-18H2,(H,29,30,31) | Definition date: | 2020-06-12 | Last modified: | 2021-07-30 | Release date: | 2021-08-04 | Identifier: | (4-{[4-(1-benzothiophen-2-yl)pyrimidin-2-yl]amino}phenyl)[4-(pyrrolidin-1-yl)piperidin-1-yl]methanone |
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![V7Q V7Q](https://data.pdbj.org/pdbjplus/data/cc/svg/V7Q.svg) | V7Q | Name: | 2,1,3-benzothiadiazol-4-ylmethanamine | Formula: | C7 H7 N3 S | SMILES: | NCc1cccc2nsnc12 | InChi: | InChI=1S/C7H7N3S/c8-4-5-2-1-3-6-7(5)10-11-9-6/h1-3H,4,8H2 | Synonyms: | Benzo[c][1,2,5]thiadiazol-4-ylmethanamine | Definition date: | 2021-04-23 | Last modified: | 2021-07-30 | Release date: | 2021-08-04 | Identifier: | 2,1,3-benzothiadiazol-4-ylmethanamine |
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![V82 V82](https://data.pdbj.org/pdbjplus/data/cc/svg/V82.svg) | V82 | Name: | [4-[[[(2~{S})-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-[[(2~{S})-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-[2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]ethanoylamino]propanoyl]amino]propanoyl]amino]methyl]-1,2,3-triazol-1-yl]methyl 4-[4-[(5~{S})-5-(acetamidomethyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]-2-fluoranyl-phenyl]piperazine-1-carboxylate | Formula: | C50 H54 F N13 O17 | SMILES: | CC(=O)NC[CH]1CN(C(=O)O1)c2ccc(N3CCN(CC3)C(=O)OCn4cc(CNC(=O)[CH](CNC(=O)[CH](CNC(=O)CNC(=O)c5cccc(O)c5O)NC(=O)c6cccc(O)c6O)NC(=O)c7cccc(O)c7O)nn4)c(F)c2 | InChi: | InChI=1S/C50H54FN13O17/c1-26(65)52-19-29-24-64(50(79)81-29)28-11-12-36(33(51)17-28)61-13-15-62(16-14-61)49(78)80-25-63-23-27(59-60-63)18-54-47(76)35(58-46(75)32-7-4-10-39(68)43(32)72)21-55-48(77)34(57-45(74)31-6-3-9-38(67)42(31)71)20-53-40(69)22-56-44(73)30-5-2-8-37(66)41(30)70/h2-12,17,23,29,34-35,66-68,70-72H,13-16,18-22,24-25H2,1H3,(H,52,65)(H,53,69)(H,54,76)(H,55,77)(H,56,73)(H,57,74)(H,58,75)/t29-,34-,35-/m0/s1 | Definition date: | 2021-04-26 | Last modified: | 2021-07-30 | Release date: | 2021-08-04 | Identifier: | [4-[[[(2~{S})-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-[[(2~{S})-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-[2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]ethanoylamino]propanoyl]amino]propanoyl]amino]methyl]-1,2,3-triazol-1-yl]methyl 4-[4-[(5~{S})-5-(acetamidomethyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]-2-fluoranyl-phenyl]piperazine-1-carboxylate |
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![9DY 9DY](https://data.pdbj.org/pdbjplus/data/cc/svg/9DY.svg) | 9DY | Name: | 4-(1,2,3-thiadiazol-4-yl)pyridine | Formula: | C7 H5 N3 S | SMILES: | c1(csnn1)c2ccncc2 | InChi: | InChI=1S/C7H5N3S/c1-3-8-4-2-6(1)7-5-11-10-9-7/h1-5H | Definition date: | 2017-04-21 | Last modified: | 2021-07-30 | Release date: | 2021-08-04 | Identifier: | 4-(1,2,3-thiadiazol-4-yl)pyridine |
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![VL5 VL5](https://data.pdbj.org/pdbjplus/data/cc/svg/VL5.svg) | VL5 | Name: | (2S)-2-[(Z)-[1-(2-azanyl-1,3-thiazol-4-yl)-2-[[(2S)-3-methyl-1-oxidanylidene-3-(sulfooxyamino)butan-2-yl]amino]-2-oxidanylidene-ethylidene]amino]oxy-3-[4-[N-[(3R)-piperidin-3-yl]carbamimidoyl]phenoxy]propanoic acid | Formula: | C25 H34 N8 O10 S2 | SMILES: | CC(C)(NO[S](O)(=O)=O)[CH](NC(=O)C(=NO[CH](COc1ccc(cc1)C(=N)N[CH]2CCCNC2)C(O)=O)c3csc(N)n3)C=O | InChi: | InChI=1S/C25H34N8O10S2/c1-25(2,33-43-45(38,39)40)19(11-34)31-22(35)20(17-13-44-24(27)30-17)32-42-18(23(36)37)12-41-16-7-5-14(6-8-16)21(26)29-15-4-3-9-28-10-15/h5-8,11,13,15,18-19,28,33H,3-4,9-10,12H2,1-2H3,(H2,26,29)(H2,27,30)(H,31,35)(H,36,37)(H,38,39,40)/b32-20-/t15-,18+,19-/m1/s1 | Synonyms: | AIC499 (bound) | Definition date: | 2021-05-27 | Last modified: | 2021-07-30 | Release date: | 2021-08-04 | Identifier: | (2~{S})-2-[(~{Z})-[1-(2-azanyl-1,3-thiazol-4-yl)-2-[[(2~{S})-3-methyl-1-oxidanylidene-3-(sulfooxyamino)butan-2-yl]amino]-2-oxidanylidene-ethylidene]amino]oxy-3-[4-[~{N}-[(3~{R})-piperidin-3-yl]carbamimidoyl]phenoxy]propanoic acid |
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![VN1 VN1](https://data.pdbj.org/pdbjplus/data/cc/svg/VN1.svg) | VN1 | Name: | 4-[(1-{(1S,2S)-1-[1-(4-aminobutyl)-1H-1,2,3-triazol-4-yl]-2-methylbutyl}-1H-1,2,3-triazol-4-yl)methoxy]-3-methoxybenzene-1-carboximidamide | Formula: | C22 H33 N9 O2 | SMILES: | CC(C(c1cn(CCCCN)nn1)n2cc(nn2)COc3c(cc(/C(N)=N)cc3)OC)CC | InChi: | InChI=1S/C22H33N9O2/c1-4-15(2)21(18-13-30(28-27-18)10-6-5-9-23)31-12-17(26-29-31)14-33-19-8-7-16(22(24)25)11-20(19)32-3/h7-8,11-13,15,21H,4-6,9-10,14,23H2,1-3H3,(H3,24,25)/t15-,21-/m0/s1 | Definition date: | 2020-08-28 | Last modified: | 2021-07-30 | Release date: | 2021-08-04 | Identifier: | 4-[(1-{(1S,2S)-1-[1-(4-aminobutyl)-1H-1,2,3-triazol-4-yl]-2-methylbutyl}-1H-1,2,3-triazol-4-yl)methoxy]-3-methoxybenzene-1-carboximidamide |
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![VZG VZG](https://data.pdbj.org/pdbjplus/data/cc/svg/VZG.svg) | VZG | Name: | 6-[(cyclopropanecarbonyl)amino]-4-({3-[6-(dimethylcarbamoyl)pyridazin-3-yl]-2-methoxyphenyl}amino)-N-methylpyridazine-3-carboxamide | Formula: | C24 H26 N8 O4 | SMILES: | C(c2c(cc(NC(C1CC1)=O)nn2)Nc3c(c(ccc3)c4ccc(nn4)C(=O)N(C)C)OC)(NC)=O | InChi: | InChI=1S/C24H26N8O4/c1-25-23(34)20-18(12-19(30-31-20)27-22(33)13-8-9-13)26-16-7-5-6-14(21(16)36-4)15-10-11-17(29-28-15)24(35)32(2)3/h5-7,10-13H,8-9H2,1-4H3,(H,25,34)(H2,26,27,30,33) | Definition date: | 2020-09-24 | Last modified: | 2021-07-30 | Release date: | 2021-08-04 | Identifier: | 6-[(cyclopropanecarbonyl)amino]-4-({3-[6-(dimethylcarbamoyl)pyridazin-3-yl]-2-methoxyphenyl}amino)-N-methylpyridazine-3-carboxamide |
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![VZJ VZJ](https://data.pdbj.org/pdbjplus/data/cc/svg/VZJ.svg) | VZJ | Name: | 6-[(cyclopropanecarbonyl)amino]-4-{[2-methoxy-3-(pyrimidin-2-yl)phenyl]amino}-N-methylpyridazine-3-carboxamide | Formula: | C21 H21 N7 O3 | SMILES: | COc3c(Nc2c(nnc(NC(C1CC1)=O)c2)C(NC)=O)cccc3c4ncccn4 | InChi: | InChI=1S/C21H21N7O3/c1-22-21(30)17-15(11-16(27-28-17)26-20(29)12-7-8-12)25-14-6-3-5-13(18(14)31-2)19-23-9-4-10-24-19/h3-6,9-12H,7-8H2,1-2H3,(H,22,30)(H2,25,26,27,29) | Definition date: | 2020-09-24 | Last modified: | 2021-07-30 | Release date: | 2021-08-04 | Identifier: | 6-[(cyclopropanecarbonyl)amino]-4-{[2-methoxy-3-(pyrimidin-2-yl)phenyl]amino}-N-methylpyridazine-3-carboxamide |
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![05X 05X](https://data.pdbj.org/pdbjplus/data/cc/svg/05X.svg) | 05X | Name: | 2,4,6-tris(fluoranyl)-N-[6-(1-methylpiperidin-4-yl)carbonylpyridin-2-yl]benzamide | Formula: | C19 H18 F3 N3 O2 | SMILES: | CN1CCC(CC1)C(=O)c2cccc(NC(=O)c3c(F)cc(F)cc3F)n2 | InChi: | InChI=1S/C19H18F3N3O2/c1-25-7-5-11(6-8-25)18(26)15-3-2-4-16(23-15)24-19(27)17-13(21)9-12(20)10-14(17)22/h2-4,9-11H,5-8H2,1H3,(H,23,24,27) | Definition date: | 2021-06-04 | Last modified: | 2021-07-30 | Release date: | 2021-08-04 | Identifier: | 2,4,6-tris(fluoranyl)-~{N}-[6-(1-methylpiperidin-4-yl)carbonylpyridin-2-yl]benzamide |
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![07I 07I](https://data.pdbj.org/pdbjplus/data/cc/svg/07I.svg) | 07I | Name: | Spliceostatin E (form I) | Formula: | C26 H37 N O6 | SMILES: | C[CH]1C[CH](NC(=O)C=C[CH](C)OC(C)=O)[CH](C)O[CH]1CC=C(C)C=C[CH]2CC(=CC(=O)O2)C | InChi: | InChI=1S/C26H37NO6/c1-16(7-10-22-13-17(2)14-26(30)33-22)8-11-24-18(3)15-23(20(5)32-24)27-25(29)12-9-19(4)31-21(6)28/h7-10,12,14,18-20,22-24H,11,13,15H2,1-6H3,(H,27,29)/b10-7+,12-9-,16-8+/t18-,19-,20+,22+,23+,24-/m0/s1 | Synonyms: | [(Z,2S)-5-[[(2R,3R,5S,6S)-2,5-dimethyl-6-[(2E,4E)-3-methyl-5-[(2S)-4-methyl-6-oxidanylidene-2,3-dihydropyran-2-yl]penta-2,4-dienyl]oxan-3-yl]amino]-5-oxidanylidene-pent-3-en-2-yl] ethanoate | Definition date: | 2021-06-01 | Last modified: | 2021-07-30 | Release date: | 2021-08-04 | Identifier: | [(~{Z},2~{S})-5-[[(2~{R},3~{R},5~{S},6~{S})-2,5-dimethyl-6-[(2~{E},4~{E})-3-methyl-5-[(2~{S})-4-methyl-6-oxidanylidene-2,3-dihydropyran-2-yl]penta-2,4-dienyl]oxan-3-yl]amino]-5-oxidanylidene-pent-3-en-2-yl] ethanoate |
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![T1T T1T](https://data.pdbj.org/pdbjplus/data/cc/svg/T1T.svg) | T1T | Name: | 7-(3-(trifluoromethyl)-1H-pyrazol-4yl)-3,8,10,11-tetrahydropyrazolo[4,3-f]thiopyrano[3,4-c]quinoline 9-oxide | Formula: | C17 H12 F3 N5 O S | SMILES: | FC(F)(F)c1[nH]ncc1c2nc3ccc4[nH]ncc4c3c5CC[S](=O)Cc25 | InChi: | InChI=1S/C17H12F3N5OS/c18-17(19,20)16-10(6-22-25-16)15-11-7-27(26)4-3-8(11)14-9-5-21-24-12(9)1-2-13(14)23-15/h1-2,5-6H,3-4,7H2,(H,21,24)(H,22,25)/t27-/m1/s1 | Definition date: | 2020-12-11 | Last modified: | 2021-07-30 | Release date: | 2021-08-04 |
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![T2W T2W](https://data.pdbj.org/pdbjplus/data/cc/svg/T2W.svg) | T2W | Name: | [(~{Z},2~{S})-5-[[4-[(2~{E},4~{E})-3-methyl-5-[(2~{S},4~{R})-4,6,6-trimethyl-4-oxidanyl-oxan-2-yl]penta-2,4-dienyl]cyclohexyl]amino]-5-oxidanylidene-pent-3-en-2-yl] ~{N}-methylcarbamate | Formula: | C27 H44 N2 O5 | SMILES: | CNC(=O)O[CH](C)C=CC(=O)N[CH]1CC[CH](CC1)CC=C(C)C=C[CH]2C[C](C)(O)CC(C)(C)O2 | InChi: | InChI=1S/C27H44N2O5/c1-19(8-15-23-17-27(5,32)18-26(3,4)34-23)7-10-21-11-13-22(14-12-21)29-24(30)16-9-20(2)33-25(31)28-6/h7-9,15-16,20-23,32H,10-14,17-18H2,1-6H3,(H,28,31)(H,29,30)/b15-8+,16-9-,19-7+/t20-,21-,22+,23+,27+/m0/s1 | Definition date: | 2020-12-14 | Last modified: | 2021-07-30 | Release date: | 2021-08-04 | Identifier: | [(~{Z},2~{S})-5-[[4-[(2~{E},4~{E})-3-methyl-5-[(2~{S},4~{R})-4,6,6-trimethyl-4-oxidanyl-oxan-2-yl]penta-2,4-dienyl]cyclohexyl]amino]-5-oxidanylidene-pent-3-en-2-yl] ~{N}-methylcarbamate |
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![T2Z T2Z](https://data.pdbj.org/pdbjplus/data/cc/svg/T2Z.svg) | T2Z | Name: | [(2~{S},3~{S},4~{E},6~{S},7~{R},10~{R})-3,7-dimethyl-2-[(2~{E},4~{E},6~{R})-6-methyl-6-oxidanyl-7-[(2~{R},3~{R})-3-[(2~{R},3~{S})-3-oxidanylpentan-2-yl]oxiran-2-yl]hepta-2,4-dien-2-yl]-7,10-bis(oxidanyl)-12-oxidanylidene-1-oxacyclododec-4-en-6-yl] ethanoate | Formula: | C30 H48 O9 | SMILES: | CC[CH](O)[CH](C)[CH]1O[CH]1C[C](C)(O)C=CC=C(C)[CH]2OC(=O)C[CH](O)CC[C](C)(O)[CH](OC(C)=O)C=C[CH]2C | InChi: | InChI=1S/C30H48O9/c1-8-23(33)20(4)28-24(38-28)17-29(6,35)14-9-10-18(2)27-19(3)11-12-25(37-21(5)31)30(7,36)15-13-22(32)16-26(34)39-27/h9-12,14,19-20,22-25,27-28,32-33,35-36H,8,13,15-17H2,1-7H3/b12-11+,14-9+,18-10+/t19-,20+,22+,23-,24+,25-,27+,28+,29-,30+/m0/s1 | Definition date: | 2020-12-14 | Last modified: | 2021-07-30 | Release date: | 2021-08-04 | Identifier: | [(2~{S},3~{S},4~{E},6~{S},7~{R},10~{R})-3,7-dimethyl-2-[(2~{E},4~{E},6~{R})-6-methyl-6-oxidanyl-7-[(2~{R},3~{R})-3-[(2~{R},3~{S})-3-oxidanylpentan-2-yl]oxiran-2-yl]hepta-2,4-dien-2-yl]-7,10-bis(oxidanyl)-12-oxidanylidene-1-oxacyclododec-4-en-6-yl] ethanoate |
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![WF1 WF1](https://data.pdbj.org/pdbjplus/data/cc/svg/WF1.svg) | WF1 | Name: | 17-amino-10-oxo-3,6,12,15-tetraoxa-9-azaheptadecan-1-oic acid | Formula: | C12 H24 N2 O7 | SMILES: | C(OCCOCC(O)=O)CNC(COCCOCCN)=O | InChi: | InChI=1S/C12H24N2O7/c13-1-3-18-5-7-20-9-11(15)14-2-4-19-6-8-21-10-12(16)17/h1-10,13H2,(H,14,15)(H,16,17) | Definition date: | 2020-10-23 | Last modified: | 2021-07-30 | Release date: | 2021-08-04 | Identifier: | 17-amino-10-oxo-3,6,12,15-tetraoxa-9-azaheptadecan-1-oic acid |
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![XKJ XKJ](https://data.pdbj.org/pdbjplus/data/cc/svg/XKJ.svg) | XKJ | Name: | dodecyl beta-D-glucopyranoside | Formula: | C18 H36 O6 | SMILES: | C(O)C1C(C(O)C(C(O1)OCCCCCCCCCCCC)O)O | InChi: | InChI=1S/C18H36O6/c1-2-3-4-5-6-7-8-9-10-11-12-23-18-17(22)16(21)15(20)14(13-19)24-18/h14-22H,2-13H2,1H3/t14-,15-,16+,17-,18-/m1/s1 | Definition date: | 2020-12-17 | Last modified: | 2021-07-30 | Release date: | 2021-08-04 | Identifier: | dodecyl beta-D-glucopyranoside |
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![YA4 YA4](https://data.pdbj.org/pdbjplus/data/cc/svg/YA4.svg) | YA4 | Name: | [(2~{R},3~{S},4~{S})-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-sulfanyl-phosphinic acid | Formula: | C5 H11 O6 P S | SMILES: | O[CH]1CO[CH](CO[P](O)(S)=O)[CH]1O | InChi: | InChI=1S/C5H11O6PS/c6-3-1-10-4(5(3)7)2-11-12(8,9)13/h3-7H,1-2H2,(H2,8,9,13)/t3-,4+,5-/m0/s1 | Definition date: | 2021-02-12 | Last modified: | 2021-07-30 | Release date: | 2021-08-04 | Identifier: | [(2~{R},3~{S},4~{S})-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-sulfanyl-phosphinic acid |
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![YXP YXP](https://data.pdbj.org/pdbjplus/data/cc/svg/YXP.svg) | YXP | Name: | {(5Z)-5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetic acid | Formula: | C13 H11 N O5 S | SMILES: | OC(=O)CN1C(=O)C(=C/c2ccc(OC)cc2)/SC1=O | InChi: | InChI=1S/C13H11NO5S/c1-19-9-4-2-8(3-5-9)6-10-12(17)14(7-11(15)16)13(18)20-10/h2-6H,7H2,1H3,(H,15,16)/b10-6- | Definition date: | 2021-04-06 | Last modified: | 2021-07-30 | Release date: | 2021-08-04 | Identifier: | {(5Z)-5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetic acid |
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![Z7S Z7S](https://data.pdbj.org/pdbjplus/data/cc/svg/Z7S.svg) | Z7S | Name: | N-[(2S,3S,4R,5R,6R)-4,5-dihydroxy-2,6-bis(hydroxymethyl)piperidin-3-yl]acetamide | Formula: | C9 H18 N2 O5 | SMILES: | OC1C(O)C(NC(C)=O)C(CO)NC1CO | InChi: | InChI=1S/C9H18N2O5/c1-4(14)10-7-5(2-12)11-6(3-13)8(15)9(7)16/h5-9,11-13,15-16H,2-3H2,1H3,(H,10,14)/t5-,6-,7+,8-,9-/m1/s1 | Definition date: | 2021-04-12 | Last modified: | 2021-07-23 | Release date: | 2021-07-28 | Identifier: | N-[(2S,3S,4R,5R,6R)-4,5-dihydroxy-2,6-bis(hydroxymethyl)piperidin-3-yl]acetamide |
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![Z8V Z8V](https://data.pdbj.org/pdbjplus/data/cc/svg/Z8V.svg) | Z8V | Name: | N-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2,6-bis(hydroxymethyl)piperidin-3-yl]acetamide | Formula: | C9 H18 N2 O5 | SMILES: | OC1C(O)C(NC(C)=O)C(CO)NC1CO | InChi: | InChI=1S/C9H18N2O5/c1-4(14)10-7-5(2-12)11-6(3-13)8(15)9(7)16/h5-9,11-13,15-16H,2-3H2,1H3,(H,10,14)/t5-,6+,7-,8+,9+/m0/s1 | Definition date: | 2021-04-12 | Last modified: | 2021-07-23 | Release date: | 2021-07-28 | Identifier: | N-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2,6-bis(hydroxymethyl)piperidin-3-yl]acetamide |
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![ZHM ZHM](https://data.pdbj.org/pdbjplus/data/cc/svg/ZHM.svg) | ZHM | Name: | 2-(2,5-dibromophenoxy)-6-[4-methyl-1-(piperidin-4-yl)-1H-1,2,3-triazol-5-yl]pyridine | Formula: | C19 H19 Br2 N5 O | SMILES: | Brc1cc(Oc2cccc(n2)c2c(C)nnn2C2CCNCC2)c(Br)cc1 | InChi: | InChI=1S/C19H19Br2N5O/c1-12-19(26(25-24-12)14-7-9-22-10-8-14)16-3-2-4-18(23-16)27-17-11-13(20)5-6-15(17)21/h2-6,11,14,22H,7-10H2,1H3 | Definition date: | 2021-04-29 | Last modified: | 2021-07-23 | Release date: | 2021-07-28 | Identifier: | 2-(2,5-dibromophenoxy)-6-[4-methyl-1-(piperidin-4-yl)-1H-1,2,3-triazol-5-yl]pyridine |
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![ZHS ZHS](https://data.pdbj.org/pdbjplus/data/cc/svg/ZHS.svg) | ZHS | Name: | 2-(4-{5-[6-(3,5-dimethylphenoxy)pyridin-2-yl]-4-methyl-1H-1,2,3-triazol-1-yl}piperidin-1-yl)-N,N-dimethylethan-1-amine | Formula: | C25 H34 N6 O | SMILES: | Cc1cc(cc(C)c1)Oc1cccc(n1)c1c(C)nnn1C1CCN(CCN(C)C)CC1 | InChi: | InChI=1S/C25H34N6O/c1-18-15-19(2)17-22(16-18)32-24-8-6-7-23(26-24)25-20(3)27-28-31(25)21-9-11-30(12-10-21)14-13-29(4)5/h6-8,15-17,21H,9-14H2,1-5H3 | Definition date: | 2021-04-29 | Last modified: | 2021-07-23 | Release date: | 2021-07-28 | Identifier: | 2-(4-{5-[6-(3,5-dimethylphenoxy)pyridin-2-yl]-4-methyl-1H-1,2,3-triazol-1-yl}piperidin-1-yl)-N,N-dimethylethan-1-amine |
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![ZHV ZHV](https://data.pdbj.org/pdbjplus/data/cc/svg/ZHV.svg) | ZHV | Name: | 2-(4-{5-[6-(2,5-dibromophenoxy)pyridin-2-yl]-4-methyl-1H-1,2,3-triazol-1-yl}piperidin-1-yl)-N,N-dimethylethan-1-amine | Formula: | C23 H28 Br2 N6 O | SMILES: | Brc1cc(Oc2cccc(n2)c2c(C)nnn2C2CCN(CCN(C)C)CC2)c(Br)cc1 | InChi: | InChI=1S/C23H28Br2N6O/c1-16-23(31(28-27-16)18-9-11-30(12-10-18)14-13-29(2)3)20-5-4-6-22(26-20)32-21-15-17(24)7-8-19(21)25/h4-8,15,18H,9-14H2,1-3H3 | Definition date: | 2021-04-29 | Last modified: | 2021-07-23 | Release date: | 2021-07-28 | Identifier: | 2-(4-{5-[6-(2,5-dibromophenoxy)pyridin-2-yl]-4-methyl-1H-1,2,3-triazol-1-yl}piperidin-1-yl)-N,N-dimethylethan-1-amine |
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![ZKM ZKM](https://data.pdbj.org/pdbjplus/data/cc/svg/ZKM.svg) | ZKM | Name: | N-[(1S,2R,3E)-2-hydroxy-1-{[(3-O-sulfo-beta-D-galactopyranosyl)oxy]methyl}heptadec-3-en-1-yl]-hexadecanamide | Formula: | C40 H77 N O11 S | SMILES: | CCCCCCCCCCCCCC=CC(O)C(COC1OC(CO)C(O)C(OS(=O)(=O)O)C1O)NC(=O)CCCCCCCCCCCCCCC | InChi: | InChI=1S/C40H77NO11S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(43)33(32-50-40-38(46)39(52-53(47,48)49)37(45)35(31-42)51-40)41-36(44)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h27,29,33-35,37-40,42-43,45-46H,3-26,28,30-32H2,1-2H3,(H,41,44)(H,47,48,49)/b29-27+/t33-,34+,35+,37-,38+,39-,40+/m0/s1 | Definition date: | 2021-04-30 | Last modified: | 2021-07-23 | Release date: | 2021-07-28 | Identifier: | N-{(2S,3R,4E)-3-hydroxy-1-[(3-O-sulfo-beta-D-galactopyranosyl)oxy]octadec-4-en-2-yl}hexadecanamide |
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![G5X G5X](https://data.pdbj.org/pdbjplus/data/cc/svg/G5X.svg) | G5X | Name: | 1-(2-azanylpyrimidin-4-yl)-6-[2-(1-oxidanylcyclohexyl)ethynyl]indole-3-carboxamide | Formula: | C21 H21 N5 O2 | SMILES: | NC(=O)c1cn(c2ccnc(N)n2)c3cc(ccc13)C#CC4(O)CCCCC4 | InChi: | InChI=1S/C21H21N5O2/c22-19(27)16-13-26(18-7-11-24-20(23)25-18)17-12-14(4-5-15(16)17)6-10-21(28)8-2-1-3-9-21/h4-5,7,11-13,28H,1-3,8-9H2,(H2,22,27)(H2,23,24,25) | Definition date: | 2020-07-30 | Last modified: | 2021-07-23 | Release date: | 2021-07-28 | Identifier: | 1-(2-azanylpyrimidin-4-yl)-6-[2-(1-oxidanylcyclohexyl)ethynyl]indole-3-carboxamide |
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![1AI 1AI](https://data.pdbj.org/pdbjplus/data/cc/svg/1AI.svg) | 1AI | Name: | ~{N}-[(2-methylphenyl)methyl]-3-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide | Formula: | C21 H22 N4 O | SMILES: | Cc1ccccc1CNC(=O)c2nccnc2NCc3ccccc3C | InChi: | InChI=1S/C21H22N4O/c1-15-7-3-5-9-17(15)13-24-20-19(22-11-12-23-20)21(26)25-14-18-10-6-4-8-16(18)2/h3-12H,13-14H2,1-2H3,(H,23,24)(H,25,26) | Definition date: | 2021-06-09 | Last modified: | 2021-07-23 | Release date: | 2021-07-28 | Identifier: | ~{N}-[(2-methylphenyl)methyl]-3-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide |
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