![A1LYU A1LYU](https://data.pdbj.org/pdbjplus/data/cc/svg/A1LYU.svg) | A1LYU | Name: | 4-methyl-8-[(S)-oxidanyl(phenyl)methyl]-9-phenyl-furo[2,3-h]chromen-2-one | Formula: | C25 H18 O4 | SMILES: | CC1=CC(=O)Oc2c1ccc3oc([CH](O)c4ccccc4)c(c5ccccc5)c23 | InChi: | InChI=1S/C25H18O4/c1-15-14-20(26)29-24-18(15)12-13-19-22(24)21(16-8-4-2-5-9-16)25(28-19)23(27)17-10-6-3-7-11-17/h2-14,23,27H,1H3/t23-/m0/s1 | Definition date: | 2024-03-05 | Last modified: | 2024-05-17 | Release date: | 2024-05-22 | Identifier: | 4-methyl-8-[(~{S})-oxidanyl(phenyl)methyl]-9-phenyl-furo[2,3-h]chromen-2-one |
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![A1LZP A1LZP](https://data.pdbj.org/pdbjplus/data/cc/svg/A1LZP.svg) | A1LZP | Name: | Trans-Geranyl Bacteriopheophytin B | Formula: | C55 H72 N4 O6 | SMILES: | COC(=O)[CH]1C(=O)c2c(C)c3[nH]c2c1c4nc(cc5[nH]c(cc6nc(c3)C(=CC)[CH]6C)c(C(C)=O)c5C)[CH](C)[CH]4CCC(=O)OCC=C(C)CCC[CH](C)CCC=C(C)CCCC(C)C | InChi: | InChI=1S/C55H72N4O6/c1-13-39-34(7)41-29-46-48(38(11)60)36(9)43(57-46)27-42-35(8)40(52(58-42)50-51(55(63)64-12)54(62)49-37(10)44(59-53(49)50)28-45(39)56-41)23-24-47(61)65-26-25-33(6)22-16-21-32(5)20-15-19-31(4)18-14-17-30(2)3/h13,19,25,27-30,32,34-35,40,51,57,59H,14-18,20-24,26H2,1-12H3/b31-19+,33-25-,39-13+,41-29-,42-27-,43-27-,44-28-,45-28-,46-29-,52-50-/t32-,34?,35?,40?,51-/m1/s1 | Definition date: | 2024-03-27 | Last modified: | 2024-05-17 | Release date: | 2024-05-22 |
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![A1LZQ A1LZQ](https://data.pdbj.org/pdbjplus/data/cc/svg/A1LZQ.svg) | A1LZQ | Name: | Trans-Geranyl 8-vinyl-bacteriochlorophyll B | Formula: | C55 H70 Mg N4 O6 | SMILES: | COC(=O)[CH]1C(=O)C2=C(C)C3=CC4=NC(=Cc5n6[Mg][N]3C2=C1C7=NC(=Cc6c(C)c5C(C)=O)[CH](C)[CH]7CCC(=O)OCC=C(C)CCCC(C)CCC=C(C)CCCC(C)C)[CH](C)[CH]4C=C | InChi: | InChI=1S/C55H71N4O6.Mg/c1-13-39-34(7)41-29-46-48(38(11)60)36(9)43(57-46)27-42-35(8)40(52(58-42)50-51(55(63)64-12)54(62)49-37(10)44(59-53(49)50)28-45(39)56-41)23-24-47(61)65-26-25-33(6)22-16-21-32(5)20-15-19-31(4)18-14-17-30(2)3 | Definition date: | 2024-03-27 | Last modified: | 2024-05-17 | Release date: | 2024-05-22 |
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![A1LZU A1LZU](https://data.pdbj.org/pdbjplus/data/cc/svg/A1LZU.svg) | A1LZU | Name: | [2,6-di(propan-2-yl)phenoxy]methyl dihydrogen phosphate | Formula: | C13 H21 O5 P | SMILES: | CC(C)c1cccc(C(C)C)c1OCO[P](O)(O)=O | InChi: | InChI=1S/C13H21O5P/c1-9(2)11-6-5-7-12(10(3)4)13(11)17-8-18-19(14,15)16/h5-7,9-10H,8H2,1-4H3,(H2,14,15,16) | Definition date: | 2024-03-29 | Last modified: | 2024-05-17 | Release date: | 2024-05-22 | Identifier: | [2,6-di(propan-2-yl)phenoxy]methyl dihydrogen phosphate |
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![30Y 30Y](https://data.pdbj.org/pdbjplus/data/cc/svg/30Y.svg) | 30Y | Name: | (2R)-3-[(2-chlorophenyl)amino]-2-cyano-3-thioxo-N-[3-(trifluoromethyl)phenyl]propanamide | Formula: | C17 H11 Cl F3 N3 O S | SMILES: | Clc2ccccc2NC(=S)C(C#N)C(=O)Nc1cc(ccc1)C(F)(F)F | InChi: | InChI=1S/C17H11ClF3N3OS/c18-13-6-1-2-7-14(13)24-16(26)12(9-22)15(25)23-11-5-3-4-10(8-11)17(19,20)21/h1-8,12H,(H,23,25)(H,24,26)/t12-/m1/s1 | Definition date: | 2014-05-16 | Last modified: | 2024-05-17 | Release date: | 2024-05-22 | Identifier: | (2R)-3-[(2-chlorophenyl)amino]-2-cyano-3-thioxo-N-[3-(trifluoromethyl)phenyl]propanamide |
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![UEU UEU](https://data.pdbj.org/pdbjplus/data/cc/svg/UEU.svg) | UEU | Name: | 4-[5-[(3~{R})-3-azanylpyrrolidin-1-yl]carbonyl-2-[2-fluoranyl-4-(2-methyl-2-oxidanyl-propyl)phenyl]phenyl]-2-fluoranyl-benzenecarbonitrile | Formula: | C28 H27 F2 N3 O2 | SMILES: | CC(C)(O)Cc1ccc(c(F)c1)c2ccc(cc2c3ccc(C#N)c(F)c3)C(=O)N4CC[CH](N)C4 | InChi: | InChI=1S/C28H27F2N3O2/c1-28(2,35)14-17-3-7-23(26(30)11-17)22-8-6-19(27(34)33-10-9-21(32)16-33)12-24(22)18-4-5-20(15-31)25(29)13-18/h3-8,11-13,21,35H,9-10,14,16,32H2,1-2H3/t21-/m1/s1 | Definition date: | 2023-05-29 | Last modified: | 2024-05-17 | Release date: | 2024-05-22 | Identifier: | 4-[5-[(3~{R})-3-azanylpyrrolidin-1-yl]carbonyl-2-[2-fluoranyl-4-(2-methyl-2-oxidanyl-propyl)phenyl]phenyl]-2-fluoranyl-benzenecarbonitrile |
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![UV6 UV6](https://data.pdbj.org/pdbjplus/data/cc/svg/UV6.svg) | UV6 | Name: | ~{N}-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-2-[[(2~{R},4~{R})-4-methyl-2-oxidanyl-3,4-dihydro-2~{H}-chromen-7-yl]oxy]-4,5-bis(oxidanyl)oxan-3-yl]ethanamide | Formula: | C18 H25 N O8 | SMILES: | C[CH]1C[CH](O)Oc2cc(O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3NC(C)=O)ccc12 | InChi: | InChI=1S/C18H25NO8/c1-8-5-14(22)26-12-6-10(3-4-11(8)12)25-18-15(19-9(2)21)17(24)16(23)13(7-20)27-18/h3-4,6,8,13-18,20,22-24H,5,7H2,1-2H3,(H,19,21)/t8-,13-,14-,15-,16-,17-,18-/m1/s1 | Definition date: | 2023-06-22 | Last modified: | 2024-05-17 | Release date: | 2024-05-22 | Identifier: | ~{N}-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-2-[[(2~{R},4~{R})-4-methyl-2-oxidanyl-3,4-dihydro-2~{H}-chromen-7-yl]oxy]-4,5-bis(oxidanyl)oxan-3-yl]ethanamide |
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![UW0 UW0](https://data.pdbj.org/pdbjplus/data/cc/svg/UW0.svg) | UW0 | Name: | [(1~{S})-4-oxidanylidene-4-[oxidanyl(3-phenylpropyl)amino]-1-phenyl-butyl]phosphonic acid | Formula: | C19 H24 N O5 P | SMILES: | ON(CCCc1ccccc1)C(=O)CC[CH](c2ccccc2)[P](O)(O)=O | InChi: | InChI=1S/C19H24NO5P/c21-19(20(22)15-7-10-16-8-3-1-4-9-16)14-13-18(26(23,24)25)17-11-5-2-6-12-17/h1-6,8-9,11-12,18,22H,7,10,13-15H2,(H2,23,24,25)/t18-/m0/s1 | Definition date: | 2023-06-23 | Last modified: | 2024-05-17 | Release date: | 2024-05-22 | Identifier: | [(1~{S})-4-oxidanylidene-4-[oxidanyl(3-phenylpropyl)amino]-1-phenyl-butyl]phosphonic acid |
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![A1H17 A1H17](https://data.pdbj.org/pdbjplus/data/cc/svg/A1H17.svg) | A1H17 | Name: | 5-[[3,4-bis(chloranyl)-1~{H}-indol-7-yl]sulfamoyl]-~{N},~{N},3-trimethyl-furan-2-carboxamide;ethane | Formula: | C16 H15 Cl2 N3 O4 S | SMILES: | CN(C)C(=O)c1oc(cc1C)[S](=O)(=O)Nc2ccc(Cl)c3c(Cl)c[nH]c23 | InChi: | InChI=1S/C16H15Cl2N3O4S/c1-8-6-12(25-15(8)16(22)21(2)3)26(23,24)20-11-5-4-9(17)13-10(18)7-19-14(11)13/h4-7,19-20H,1-3H3 | Definition date: | 2024-01-15 | Last modified: | 2024-05-14 | Release date: | 2024-04-03 | Identifier: | 5-[[3,4-bis(chloranyl)-1~{H}-indol-7-yl]sulfamoyl]-~{N},~{N},3-trimethyl-furan-2-carboxamide |
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![YFW YFW](https://data.pdbj.org/pdbjplus/data/cc/svg/YFW.svg) | YFW | Name: | 2-(5-methoxy-1H-indol-3-yl)-N,N-dimethylethan-1-amine | Formula: | C13 H18 N2 O | SMILES: | CN(C)CCc1c[NH]c2ccc(cc21)OC | InChi: | InChI=1S/C13H18N2O/c1-15(2)7-6-10-9-14-13-5-4-11(16-3)8-12(10)13/h4-5,8-9,14H,6-7H2,1-3H3 | Definition date: | 2023-01-27 | Last modified: | 2024-05-10 | Release date: | 2024-05-15 | Identifier: | 2-(5-methoxy-1H-indol-3-yl)-N,N-dimethylethan-1-amine |
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![YGH YGH](https://data.pdbj.org/pdbjplus/data/cc/svg/YGH.svg) | YGH | Name: | 4-fluoro-5-methoxy-3-[2-(pyrrolidin-1-yl)ethyl]-1H-indole | Formula: | C15 H19 F N2 O | SMILES: | COc1ccc2[NH]cc(CCN3CCCC3)c2c1F | InChi: | InChI=1S/C15H19FN2O/c1-19-13-5-4-12-14(15(13)16)11(10-17-12)6-9-18-7-2-3-8-18/h4-5,10,17H,2-3,6-9H2,1H3 | Definition date: | 2023-01-28 | Last modified: | 2024-05-10 | Release date: | 2024-05-15 | Identifier: | 4-fluoro-5-methoxy-3-[2-(pyrrolidin-1-yl)ethyl]-1H-indole |
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![YGO YGO](https://data.pdbj.org/pdbjplus/data/cc/svg/YGO.svg) | YGO | Name: | (1P)-N-(5-tert-butyl-2-{[(3R)-hexan-3-yl]oxy}phenyl)-1-(2,5-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide | Formula: | C28 H38 N4 O4 | SMILES: | CC(C)(C)c1cc(NC(=O)c2nnn(c3cc(ccc3OC)OC)c2C)c(OC(CC)CCC)cc1 | InChi: | InChI=1S/C28H38N4O4/c1-9-11-20(10-2)36-24-14-12-19(28(4,5)6)16-22(24)29-27(33)26-18(3)32(31-30-26)23-17-21(34-7)13-15-25(23)35-8/h12-17,20H,9-11H2,1-8H3,(H,29,33)/t20-/m1/s1 | Definition date: | 2023-06-14 | Last modified: | 2024-05-10 | Release date: | 2024-05-15 | Identifier: | (1P)-N-(5-tert-butyl-2-{[(3R)-hexan-3-yl]oxy}phenyl)-1-(2,5-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide |
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![YLX YLX](https://data.pdbj.org/pdbjplus/data/cc/svg/YLX.svg) | YLX | Name: | Buspirone | Formula: | C21 H31 N5 O2 | SMILES: | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | InChi: | InChI=1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2 | Synonyms: | Buspirone | Definition date: | 2023-02-09 | Last modified: | 2024-05-10 | Release date: | 2024-05-15 | Identifier: | 8-{4-[4-(pyrimidin-2-yl)piperazin-1-yl]butyl}-8-azaspiro[4.5]decane-7,9-dione |
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![KW0 KW0](https://data.pdbj.org/pdbjplus/data/cc/svg/KW0.svg) | KW0 | Name: | (2~{S})-2-azanyl-3-[[(2~{R})-1-ethoxy-3-[(~{Z})-octadec-9-enoyl]oxy-propan-2-yl]oxy-oxidanyl-phosphoryl]oxy-propanoic acid | Formula: | C26 H50 N O9 P | SMILES: | CCCCCCCCC=CCCCCCCCC(=O)OC[CH](COCC)O[P](O)(=O)OC[CH](N)C(O)=O | InChi: | InChI=1S/C26H50NO9P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)34-21-23(20-33-4-2)36-37(31,32)35-22-24(27)26(29)30/h11-12,23-24H,3-10,13-22,27H2,1-2H3,(H,29,30)(H,31,32)/b12-11-/t23-,24+/m1/s1 | Definition date: | 2022-10-20 | Last modified: | 2024-05-10 | Release date: | 2024-05-15 | Identifier: | (2~{S})-2-azanyl-3-[[(2~{R})-1-ethoxy-3-[(~{Z})-octadec-9-enoyl]oxy-propan-2-yl]oxy-oxidanyl-phosphoryl]oxy-propanoic acid |
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![W4I W4I](https://data.pdbj.org/pdbjplus/data/cc/svg/W4I.svg) | W4I | Name: | [(2~{S})-3-[(2~{R},3~{R},4~{S},5~{R},6~{R})-6-[[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-[(6~{Z},9~{Z},12~{Z},15~{Z})-octadeca-6,9,12,15-tetraenoyl]oxy-propyl] (5~{Z},8~{Z},11~{Z},14~{Z},17~{Z})-icosa-5,8,11,14,17-pentaenoate | Formula: | C53 H82 O15 | SMILES: | CCC=CCC=CCC=CCC=CCCCCC(=O)O[CH](CO[CH]1O[CH](CO[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O)COC(=O)CCCC=CCC=CCC=CCC=CCC=CCC | InChi: | InChI=1S/C53H82O15/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-44(55)63-38-41(66-45(56)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)39-64-52-51(62)49(60)47(58)43(68-52)40-65-53-50(61)48(59)46(57)42(37-54)67-53/h5-8,11-14,17-19,21-23,26-29,41-43,46-54,57-62H,3-4,9-10,15-16,20,24-25,30-40H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,21-18-,23-22-,28-26-,29-27-/t41-,42-,43-,46+,47+,48+,49+,50-,51-,52-,53+/m1/s1 | Definition date: | 2023-04-27 | Last modified: | 2024-05-10 | Release date: | 2024-05-15 | Identifier: | [(2~{S})-3-[(2~{R},3~{R},4~{S},5~{R},6~{R})-6-[[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-[(6~{Z},9~{Z},12~{Z},15~{Z})-octadeca-6,9,12,15-tetraenoyl]oxy-propyl] (5~{Z},8~{Z},11~{Z},14~{Z},17~{Z})-icosa-5,8,11,14,17-pentaenoate |
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![W4O W4O](https://data.pdbj.org/pdbjplus/data/cc/svg/W4O.svg) | W4O | Name: | [(2~{S})-3-[(2~{R},3~{R},4~{S},5~{R},6~{R})-6-[[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-[(6~{Z},9~{Z},12~{Z},15~{Z})-octadeca-6,9,12,15-tetraenoyl]oxy-propyl] (6~{Z},9~{Z},12~{Z},15~{Z})-octadeca-6,9,12,15-tetraenoate | Formula: | C51 H80 O15 | SMILES: | CCC=CCC=CCC=CCC=CCCCCC(=O)OC[CH](CO[CH]1O[CH](CO[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O)OC(=O)CCCCC=CCC=CCC=CCC=CCC | InChi: | InChI=1S/C51H80O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(53)61-36-39(64-43(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-62-50-49(60)47(58)45(56)41(66-50)38-63-51-48(59)46(57)44(55)40(35-52)65-51/h5-8,11-14,17-20,23-26,39-41,44-52,55-60H,3-4,9-10,15-16,21-22,27-38H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-/t39-,40-,41-,44+,45+,46+,47+,48-,49-,50-,51+/m1/s1 | Definition date: | 2023-04-27 | Last modified: | 2024-05-10 | Release date: | 2024-05-15 | Identifier: | [(2~{S})-3-[(2~{R},3~{R},4~{S},5~{R},6~{R})-6-[[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-[(6~{Z},9~{Z},12~{Z},15~{Z})-octadeca-6,9,12,15-tetraenoyl]oxy-propyl] (6~{Z},9~{Z},12~{Z},15~{Z})-octadeca-6,9,12,15-tetraenoate |
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![W6E W6E](https://data.pdbj.org/pdbjplus/data/cc/svg/W6E.svg) | W6E | Name: | 7-(1~{H}-1,2,3-triazol-5-yl)quinazolin-2-amine | Formula: | C10 H8 N6 | SMILES: | Nc1ncc2ccc(cc2n1)c3[nH]nnc3 | InChi: | InChI=1S/C10H8N6/c11-10-12-4-7-2-1-6(3-8(7)14-10)9-5-13-16-15-9/h1-5H,(H2,11,12,14)(H,13,15,16) | Definition date: | 2023-05-09 | Last modified: | 2024-05-10 | Release date: | 2024-05-15 | Identifier: | 7-(1~{H}-1,2,3-triazol-5-yl)quinazolin-2-amine |
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![W6T W6T](https://data.pdbj.org/pdbjplus/data/cc/svg/W6T.svg) | W6T | Name: | quinazolin-2-amine | Formula: | C8 H7 N3 | SMILES: | Nc1ncc2ccccc2n1 | InChi: | InChI=1S/C8H7N3/c9-8-10-5-6-3-1-2-4-7(6)11-8/h1-5H,(H2,9,10,11) | Definition date: | 2023-05-09 | Last modified: | 2024-05-10 | Release date: | 2024-05-15 | Identifier: | quinazolin-2-amine |
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![WGH WGH](https://data.pdbj.org/pdbjplus/data/cc/svg/WGH.svg) | WGH | Name: | [3,5-bis(iodanyl)-4-oxidanyl-phenyl]-(2-ethyl-4-iodanyl-1-benzofuran-3-yl)methanone | Formula: | C17 H11 I3 O3 | SMILES: | CCc1oc2cccc(I)c2c1C(=O)c3cc(I)c(O)c(I)c3 | InChi: | InChI=1S/C17H11I3O3/c1-2-12-15(14-9(18)4-3-5-13(14)23-12)16(21)8-6-10(19)17(22)11(20)7-8/h3-7,22H,2H2,1H3 | Definition date: | 2023-10-03 | Last modified: | 2024-05-10 | Release date: | 2024-05-15 | Identifier: | [3,5-bis(iodanyl)-4-oxidanyl-phenyl]-(2-ethyl-4-iodanyl-1-benzofuran-3-yl)methanone |
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![WGJ WGJ](https://data.pdbj.org/pdbjplus/data/cc/svg/WGJ.svg) | WGJ | Name: | [4,7-bis(chloranyl)-2-ethyl-1-benzofuran-3-yl]-[3,5-bis(iodanyl)-4-oxidanyl-phenyl]methanone | Formula: | C17 H10 Cl2 I2 O3 | SMILES: | CCc1oc2c(Cl)ccc(Cl)c2c1C(=O)c3cc(I)c(O)c(I)c3 | InChi: | InChI=1S/C17H10Cl2I2O3/c1-2-12-14(13-8(18)3-4-9(19)17(13)24-12)15(22)7-5-10(20)16(23)11(21)6-7/h3-6,23H,2H2,1H3 | Definition date: | 2023-10-03 | Last modified: | 2024-05-10 | Release date: | 2024-05-15 | Identifier: | [4,7-bis(chloranyl)-2-ethyl-1-benzofuran-3-yl]-[3,5-bis(iodanyl)-4-oxidanyl-phenyl]methanone |
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![WH0 WH0](https://data.pdbj.org/pdbjplus/data/cc/svg/WH0.svg) | WH0 | Name: | [3,5-bis(iodanyl)-4-oxidanyl-phenyl]-[2-ethyl-4,7-bis(fluoranyl)-1-benzofuran-3-yl]methanone | Formula: | C17 H10 F2 I2 O3 | SMILES: | CCc1oc2c(F)ccc(F)c2c1C(=O)c3cc(I)c(O)c(I)c3 | InChi: | InChI=1S/C17H10F2I2O3/c1-2-12-14(13-8(18)3-4-9(19)17(13)24-12)15(22)7-5-10(20)16(23)11(21)6-7/h3-6,23H,2H2,1H3 | Definition date: | 2023-10-03 | Last modified: | 2024-05-10 | Release date: | 2024-05-15 | Identifier: | [3,5-bis(iodanyl)-4-oxidanyl-phenyl]-[2-ethyl-4,7-bis(fluoranyl)-1-benzofuran-3-yl]methanone |
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![WSO WSO](https://data.pdbj.org/pdbjplus/data/cc/svg/WSO.svg) | WSO | Name: | (1P)-N-(5-tert-butyl-2-{[(2S)-pentan-2-yl]oxy}phenyl)-1-(2-methoxy-5-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide | Formula: | C27 H36 N4 O3 | SMILES: | CC(C)(C)c1cc(NC(=O)c2nnn(c3cc(C)ccc3OC)c2C)c(OC(C)CCC)cc1 | InChi: | InChI=1S/C27H36N4O3/c1-9-10-18(3)34-23-14-12-20(27(5,6)7)16-21(23)28-26(32)25-19(4)31(30-29-25)22-15-17(2)11-13-24(22)33-8/h11-16,18H,9-10H2,1-8H3,(H,28,32)/t18-/m0/s1 | Definition date: | 2023-05-17 | Last modified: | 2024-05-10 | Release date: | 2024-05-15 | Identifier: | (1P)-N-(5-tert-butyl-2-{[(2S)-pentan-2-yl]oxy}phenyl)-1-(2-methoxy-5-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide |
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![WSX WSX](https://data.pdbj.org/pdbjplus/data/cc/svg/WSX.svg) | WSX | Name: | (1P)-N-(5-tert-butyl-2-{[(3S)-hexan-3-yl]oxy}phenyl)-1-(2,5-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide | Formula: | C28 H38 N4 O4 | SMILES: | CC(C)(C)c1cc(NC(=O)c2nnn(c3cc(ccc3OC)OC)c2C)c(OC(CC)CCC)cc1 | InChi: | InChI=1S/C28H38N4O4/c1-9-11-20(10-2)36-24-14-12-19(28(4,5)6)16-22(24)29-27(33)26-18(3)32(31-30-26)23-17-21(34-7)13-15-25(23)35-8/h12-17,20H,9-11H2,1-8H3,(H,29,33)/t20-/m0/s1 | Definition date: | 2023-05-17 | Last modified: | 2024-05-10 | Release date: | 2024-05-15 | Identifier: | (1P)-N-(5-tert-butyl-2-{[(3S)-hexan-3-yl]oxy}phenyl)-1-(2,5-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide |
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![WT1 WT1](https://data.pdbj.org/pdbjplus/data/cc/svg/WT1.svg) | WT1 | Name: | (1P)-N-(5-tert-butyl-2-{[(3S)-hexan-3-yl]oxy}phenyl)-5-methyl-1-(2,4,5-trimethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide | Formula: | C29 H40 N4 O5 | SMILES: | CC(C)(C)c1cc(NC(=O)c2nnn(c3cc(OC)c(cc3OC)OC)c2C)c(OC(CC)CCC)cc1 | InChi: | InChI=1S/C29H40N4O5/c1-10-12-20(11-2)38-23-14-13-19(29(4,5)6)15-21(23)30-28(34)27-18(3)33(32-31-27)22-16-25(36-8)26(37-9)17-24(22)35-7/h13-17,20H,10-12H2,1-9H3,(H,30,34)/t20-/m0/s1 | Definition date: | 2023-05-17 | Last modified: | 2024-05-10 | Release date: | 2024-05-15 | Identifier: | (1P)-N-(5-tert-butyl-2-{[(3S)-hexan-3-yl]oxy}phenyl)-5-methyl-1-(2,4,5-trimethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide |
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![WU2 WU2](https://data.pdbj.org/pdbjplus/data/cc/svg/WU2.svg) | WU2 | Name: | (1P)-N-(5-tert-butyl-2-{[(3S)-hexan-3-yl]oxy}phenyl)-1-(2,4-dimethoxy-5-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide | Formula: | C29 H40 N4 O4 | SMILES: | CC(C)(C)c1cc(NC(=O)c2nnn(c3cc(C)c(cc3OC)OC)c2C)c(OC(CC)CCC)cc1 | InChi: | InChI=1S/C29H40N4O4/c1-10-12-21(11-2)37-24-14-13-20(29(5,6)7)16-22(24)30-28(34)27-19(4)33(32-31-27)23-15-18(3)25(35-8)17-26(23)36-9/h13-17,21H,10-12H2,1-9H3,(H,30,34)/t21-/m0/s1 | Definition date: | 2023-05-18 | Last modified: | 2024-05-10 | Release date: | 2024-05-15 | Identifier: | (1P)-N-(5-tert-butyl-2-{[(3S)-hexan-3-yl]oxy}phenyl)-1-(2,4-dimethoxy-5-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide |
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