![WE7 WE7](https://data.pdbj.org/pdbjplus/data/cc/svg/WE7.svg) | WE7 | Name: | 3-[(2,6-dichlorophenyl)methyl]-8-(2-methylphenyl)-3H-purin-6-amine | Formula: | C19 H15 Cl2 N5 | SMILES: | C1=4C(=C(N)N=CN1Cc2c(Cl)cccc2Cl)N=C(c3c(cccc3)C)N=4 | InChi: | InChI=1S/C19H15Cl2N5/c1-11-5-2-3-6-12(11)18-24-16-17(22)23-10-26(19(16)25-18)9-13-14(20)7-4-8-15(13)21/h2-8,10H,9,22H2,1H3 | Definition date: | 2020-10-20 | Last modified: | 2021-05-14 | Release date: | 2021-05-19 | Identifier: | 3-[(2,6-dichlorophenyl)methyl]-8-(2-methylphenyl)-3H-purin-6-amine |
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![WES WES](https://data.pdbj.org/pdbjplus/data/cc/svg/WES.svg) | WES | Name: | (2S)-3-{[(S)-{[(1S,2S,3R,4S,5S,6S)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}propane-1,2-diyl (9E,9'E)di-octadec-9-enoate | Formula: | C45 H86 O22 P4 | SMILES: | C(/CCCCCCCC(=O)OCC(COP(=O)(O)OC1C(O)C(OP(O)(O)=O)C(C(C1O)OP(O)(=O)O)OP(O)(=O)O)OC(CCCCCCC[C@H]=CCCCCCCCC)=O)=CCCCCCCCC | InChi: | InChI=1S/C45H86O22P4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)61-35-37(63-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-62-71(59,60)67-42-40(48)43(64-68(50,51)52)45(66-70(56,57)58)44(41(42)49)65-69(53,54)55/h17-20,37,40-45,48-49H,3-16,21-36H2,1-2H3,(H,59,60)(H2,50,51,52)(H2,53,54,55)(H2,56,57,58)/b19-17+,20-18+/t37-,40-,41-,42-,43+,44-,45-/m0/s1 | Definition date: | 2020-10-22 | Last modified: | 2021-05-14 | Release date: | 2021-05-19 | Identifier: | (2S)-3-{[(S)-{[(1S,2S,3R,4S,5S,6S)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}propane-1,2-diyl (9E,9'E)di-octadec-9-enoate |
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![Q4K Q4K](https://data.pdbj.org/pdbjplus/data/cc/svg/Q4K.svg) | Q4K | Name: | ethyl (2~{S},3~{R})-3-(5-bromanylpyridin-2-yl)-2-fluoranyl-3-oxidanyl-propanoate | Formula: | C10 H11 Br F N O3 | SMILES: | CCOC(=O)[CH](F)[CH](O)c1ccc(Br)cn1 | InChi: | InChI=1S/C10H11BrFNO3/c1-2-16-10(15)8(12)9(14)7-4-3-6(11)5-13-7/h3-5,8-9,14H,2H2,1H3/t8-,9+/m0/s1 | Definition date: | 2020-05-11 | Last modified: | 2021-05-14 | Release date: | 2021-05-19 | Identifier: | ethyl (2~{S},3~{R})-3-(5-bromanylpyridin-2-yl)-2-fluoranyl-3-oxidanyl-propanoate |
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![Q4Z Q4Z](https://data.pdbj.org/pdbjplus/data/cc/svg/Q4Z.svg) | Q4Z | Name: | [(3~{a}~{R},5~{R},6~{S},7~{R},7~{a}~{R})-2-methyl-6,7-bis(oxidanyl)-5,6,7,7~{a}-tetrahydro-3~{a}~{H}-pyrano[3,2-d][1,3]oxazol-1-ium-5-yl]methyl sulfate | Formula: | C8 H13 N O8 S | SMILES: | CC1=[NH+][CH]2[CH](O)[CH](O)[CH](CO[S]([O-])(=O)=O)O[CH]2O1 | InChi: | InChI=1S/C8H13NO8S/c1-3-9-5-7(11)6(10)4(17-8(5)16-3)2-15-18(12,13)14/h4-8,10-11H,2H2,1H3,(H,12,13,14)/t4-,5-,6-,7-,8+/m1/s1 | Definition date: | 2020-05-12 | Last modified: | 2021-05-14 | Release date: | 2021-05-19 | Identifier: | [(3~{a}~{R},5~{R},6~{S},7~{R},7~{a}~{R})-2-methyl-6,7-bis(oxidanyl)-5,6,7,7~{a}-tetrahydro-3~{a}~{H}-pyrano[3,2-d][1,3]oxazol-1-ium-5-yl]methyl sulfate |
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![9ZW 9ZW](https://data.pdbj.org/pdbjplus/data/cc/svg/9ZW.svg) | 9ZW | Name: | 4-methyl-3-(morpholin-4-ylmethyl)-7-[(1~{R})-1-phenylethoxy]chromen-2-one | Formula: | C23 H25 N O4 | SMILES: | C[CH](Oc1ccc2C(=C(CN3CCOCC3)C(=O)Oc2c1)C)c4ccccc4 | InChi: | InChI=1S/C23H25NO4/c1-16-20-9-8-19(27-17(2)18-6-4-3-5-7-18)14-22(20)28-23(25)21(16)15-24-10-12-26-13-11-24/h3-9,14,17H,10-13,15H2,1-2H3/t17-/m1/s1 | Definition date: | 2021-02-09 | Last modified: | 2021-05-14 | Release date: | 2021-05-19 | Identifier: | 4-methyl-3-(morpholin-4-ylmethyl)-7-[(1~{R})-1-phenylethoxy]chromen-2-one |
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![9ZX 9ZX](https://data.pdbj.org/pdbjplus/data/cc/svg/9ZX.svg) | 9ZX | Name: | 4-methyl-3-(morpholin-4-ylmethyl)-7-[(2~{S})-2-phenylpropoxy]chromen-2-one | Formula: | C24 H27 N O4 | SMILES: | C[CH](COc1ccc2C(=C(CN3CCOCC3)C(=O)Oc2c1)C)c4ccccc4 | InChi: | InChI=1S/C24H27NO4/c1-17(19-6-4-3-5-7-19)16-28-20-8-9-21-18(2)22(24(26)29-23(21)14-20)15-25-10-12-27-13-11-25/h3-9,14,17H,10-13,15-16H2,1-2H3/t17-/m1/s1 | Definition date: | 2021-02-09 | Last modified: | 2021-05-14 | Release date: | 2021-05-19 | Identifier: | 4-methyl-3-(morpholin-4-ylmethyl)-7-[(2~{S})-2-phenylpropoxy]chromen-2-one |
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![I33 I33](https://data.pdbj.org/pdbjplus/data/cc/svg/I33.svg) | I33 | Name: | 7-chloro-N-(quinuclidin-3-yl)benzo[b]thiophene-2-carboxamide | Formula: | C16 H17 Cl N2 O S | SMILES: | Clc1cccc2cc(sc12)C(=O)N[CH]3CN4CCC3CC4 | InChi: | InChI=1S/C16H17ClN2OS/c17-12-3-1-2-11-8-14(21-15(11)12)16(20)18-13-9-19-6-4-10(13)5-7-19/h1-3,8,10,13H,4-7,9H2,(H,18,20)/t13-/m0/s1 | Definition date: | 2021-04-09 | Last modified: | 2021-05-14 | Release date: | 2021-05-19 | Identifier: | ~{N}-[(3~{R})-1-azabicyclo[2.2.2]octan-3-yl]-7-chloranyl-1-benzothiophene-2-carboxamide |
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![I34 I34](https://data.pdbj.org/pdbjplus/data/cc/svg/I34.svg) | I34 | Name: | N-(5-Chloro-2,4-dimethoxyphenyl)-N'-(5-methyl-3-isoxazolyl)-urea | Formula: | C13 H14 Cl N3 O4 | SMILES: | COc1cc(OC)c(NC(=O)Nc2cc(C)on2)cc1Cl | InChi: | InChI=1S/C13H14ClN3O4/c1-7-4-12(17-21-7)16-13(18)15-9-5-8(14)10(19-2)6-11(9)20-3/h4-6H,1-3H3,(H2,15,16,17,18) | Definition date: | 2021-04-09 | Last modified: | 2021-05-14 | Release date: | 2021-05-19 | Identifier: | 1-(5-chloranyl-2,4-dimethoxy-phenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea |
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![E5C E5C](https://data.pdbj.org/pdbjplus/data/cc/svg/E5C.svg) | E5C | Name: | (3R)-3-[[(3S)-3-ethylpiperidin-1-yl]methyl]-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one | Formula: | C17 H23 N O4 | SMILES: | CC[CH]1CCCN(C1)C[CH]2Cc3cc(O)cc(O)c3C(=O)O2 | InChi: | InChI=1S/C17H23NO4/c1-2-11-4-3-5-18(9-11)10-14-7-12-6-13(19)8-15(20)16(12)17(21)22-14/h6,8,11,14,19-20H,2-5,7,9-10H2,1H3/t11-,14+/m0/s1 | Definition date: | 2019-10-17 | Last modified: | 2021-05-14 | Release date: | 2021-05-19 | Identifier: | (3~{R})-3-[[(3~{S})-3-ethylpiperidin-1-yl]methyl]-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one |
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![E5R E5R](https://data.pdbj.org/pdbjplus/data/cc/svg/E5R.svg) | E5R | Name: | (3R)-3-[[(3R)-3-methylpiperidin-1-yl]methyl]-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one | Formula: | C16 H21 N O4 | SMILES: | C[CH]1CCCN(C1)C[CH]2Cc3cc(O)cc(O)c3C(=O)O2 | InChi: | InChI=1S/C16H21NO4/c1-10-3-2-4-17(8-10)9-13-6-11-5-12(18)7-14(19)15(11)16(20)21-13/h5,7,10,13,18-19H,2-4,6,8-9H2,1H3/t10-,13-/m1/s1 | Definition date: | 2019-10-21 | Last modified: | 2021-05-14 | Release date: | 2021-05-19 | Identifier: | (3~{R})-3-[[(3~{R})-3-methylpiperidin-1-yl]methyl]-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one |
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![H8L H8L](https://data.pdbj.org/pdbjplus/data/cc/svg/H8L.svg) | H8L | Name: | O3-methyl O5-(2-methylpropyl) 2,6-dimethyl-4-[2-(oxidanylamino)phenyl]pyridine-3,5-dicarboxylate | Formula: | C20 H24 N2 O5 | SMILES: | COC(=O)c1c(C)nc(C)c(C(=O)OCC(C)C)c1c2ccccc2NO | InChi: | InChI=1S/C20H24N2O5/c1-11(2)10-27-20(24)17-13(4)21-12(3)16(19(23)26-5)18(17)14-8-6-7-9-15(14)22-25/h6-9,11,22,25H,10H2,1-5H3 | Definition date: | 2020-11-26 | Last modified: | 2021-05-14 | Release date: | 2021-05-19 | Identifier: | ~{O}3-methyl ~{O}5-(2-methylpropyl) 2,6-dimethyl-4-[2-(oxidanylamino)phenyl]pyridine-3,5-dicarboxylate |
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![M8T M8T](https://data.pdbj.org/pdbjplus/data/cc/svg/M8T.svg) | M8T | Name: | 2'-fluoro-,3',3'-c-di-AMP | Formula: | C20 H22 F2 N10 O10 P2 | SMILES: | Nc1ncnc2n(cnc12)[CH]3O[CH]4CO[P](O)(=O)O[CH]5[CH](F)[CH](O[CH]5CO[P](O)(=O)O[CH]4[CH]3F)n6cnc7c(N)ncnc67 | InChi: | InChI=1S/C20H22F2N10O10P2/c21-9-13-7(39-19(9)31-5-29-11-15(23)25-3-27-17(11)31)1-37-43(33,34)42-14-8(2-38-44(35,36)41-13)40-20(10(14)22)32-6-30-12-16(24)26-4-28-18(12)32/h3-10,13-14,19-20H,1-2H2,(H,33,34)(H,35,36)(H2,23,25,27)(H2,24,26,28)/t7-,8-,9-,10-,13-,14-,19-,20-/m1/s1 | Definition date: | 2019-10-07 | Last modified: | 2021-05-14 | Release date: | 2021-05-19 | Identifier: | 9-[(1~{R},6~{R},8~{R},9~{R},10~{R},15~{R},17~{R},18~{R})-17-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-8-yl]purin-6-amine |
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![UI1 UI1](https://data.pdbj.org/pdbjplus/data/cc/svg/UI1.svg) | UI1 | Name: | 6-[(Z)-AMINO(IMINO)METHYL]-N-[4-(AMINOMETHYL)PHENYL]-4-(PYRIMIDIN-2-YLAMINO)-2-NAPHTHAMIDE | Formula: | C23 H21 N7 O | SMILES: | NCc1ccc(cc1)NC(=O)c1cc(Nc2ncccn2)c2cc(ccc2c1)C(=N)N | InChi: | InChI=1S/C23H21N7O/c24-13-14-2-6-18(7-3-14)29-22(31)17-10-15-4-5-16(21(25)26)11-19(15)20(12-17)30-23-27-8-1-9-28-23/h1-12H,13,24H2,(H3,25,26)(H,29,31)(H,27,28,30) | Definition date: | 2004-03-26 | Last modified: | 2021-05-13 | Identifier: | N-[4-(aminomethyl)phenyl]-6-carbamimidoyl-4-[(pyrimidin-2-yl)amino]naphthalene-2-carboxamide |
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![X12 X12](https://data.pdbj.org/pdbjplus/data/cc/svg/X12.svg) | X12 | Name: | 2-[[(2S)-2,6-bis[[(2S)-2,6-bis[[(2R)-2-[[(2R,3R)-2-[[(2R)-2-amino-5-carbamimidamido-pentanoyl]amino]-3-hydroxy-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]hexanoyl]amino]ethanoic acid | Formula: | C96 H153 N31 O25 | SMILES: | C[CH](O)[CH](NC(=O)[CH](N)CCCNC(N)=N)C(=O)N[CH](Cc1ccc(O)cc1)C(=O)NCCCC[CH](NC(=O)[CH](Cc2ccc(O)cc2)NC(=O)[CH](NC(=O)[CH](N)CCCNC(N)=N)[CH](C)O)C(=O)NCCCC[CH](NC(=O)[CH](CCCCNC(=O)[CH](Cc3ccc(O)cc3)NC(=O)[CH](NC(=O)[CH](N)CCCNC(N)=N)[CH](C)O)NC(=O)[CH](Cc4ccc(O)cc4)NC(=O)[CH](NC(=O)[CH](N)CCCNC(N)=N)[CH](C)O)C(=O)NCC(O)=O | InChi: | InChI=1S/C96H153N31O25/c1-50(128)74(124-78(138)62(97)15-11-41-112-93(101)102)89(149)120-69(45-54-22-30-58(132)31-23-54)84(144)110-39-9-5-19-66(118-87(147)71(47-56-26-34-60(134)35-27-56)122-91(151)76(52(3)130)126-80(140)64(99)17-13-43-114-95(105)106)82(142)109-38-8-6-20-67(83(143)116-49-73(136)137)117-86(146)68(119-88(148)72(48-57-28-36-61(135)37-29-57)123-92(152)77(53(4)131)127-81(141)65(100)18-14-44-115-96(107)108)21-7-10-40-111-85(145)70(46-55-24-32-59(133)33-25-55)121-90(150)75(51(2)129)125-79(139)63(98)16-12-42-113-94(103)104/h22-37,50-53,62-72,74-77,128-135H,5-21,38-49,97-100H2,1-4H3,(H,109,142)(H,110,144)(H,111,145)(H,116,143)(H,117,146)(H,118,147)(H,119,148)(H,120,149)(H,121,150)(H,122,151)(H,123,152)(H,124,138)(H,125,139)(H,126,140)(H,127,141)(H,136,137)(H4,101,102,112)(H4,103,104,113)(H4,105,106,114)(H4,107,108,115)/t50-,51-,52-,53-,62-,63-,64-,65-,66+,67+,68+,69-,70-,71-,72-,74-,75-,76-,77-/m1/s1 | Definition date: | 2008-06-11 | Last modified: | 2021-05-11 | Identifier: | 2-[[(2~{S})-2,6-bis[[(2~{S})-2,6-bis[[(2~{R})-2-[[(2~{R},3~{R})-2-[[(2~{R})-2-azanyl-5-carbamimidamido-pentanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]hexanoyl]amino]ethanoic acid |
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![TTX TTX](https://data.pdbj.org/pdbjplus/data/cc/svg/TTX.svg) | TTX | Name: | TENTOXIN | Formula: | C22 H30 N4 O4 | SMILES: | O=C1NC(C(=O)N(/C(C(=O)NCC(=O)N(C)C1C)=Cc2ccccc2)C)CC(C)C | InChi: | InChI=1S/C22H30N4O4/c1-14(2)11-17-22(30)26(5)18(12-16-9-7-6-8-10-16)21(29)23-13-19(27)25(4)15(3)20(28)24-17/h6-10,12,14-15,17H,11,13H2,1-5H3,(H,23,29)(H,24,28)/b18-12-/t15-,17-/m0/s1 | Definition date: | 2002-01-14 | Last modified: | 2021-05-11 | Identifier: | (3S,6S,12Z)-1,6,7-trimethyl-3-(2-methylpropyl)-12-(phenylmethylidene)-1,4,7,10-tetraazacyclododecane-2,5,8,11-tetrone |
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![CDL CDL](https://data.pdbj.org/pdbjplus/data/cc/svg/CDL.svg) | CDL | Name: | CARDIOLIPIN | Formula: | C81 H156 O17 P2 | SMILES: | CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P]([O-])(=O)OC[CH](O)CO[P]([O-])(=O)OC[CH](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC | InChi: | InChI=1S/C81H158O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h75-77,82H,5-74H2,1-4H3,(H,87,88)(H,89,90)/p-2/t76-,77-/m1/s1 | Synonyms: | DIPHOSPHATIDYL GLYCEROL | Definition date: | 1999-11-19 | Last modified: | 2021-05-11 | Identifier: | [3-[[(2~{R})-2,3-di(octadecanoyloxy)propoxy]-oxidanidyl-phosphoryl]oxy-2-oxidanyl-propyl] [(2~{R})-2,3-di(octadecanoyloxy)propyl] phosphate |
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![CPH CPH](https://data.pdbj.org/pdbjplus/data/cc/svg/CPH.svg) | CPH | Name: | (1S)-5-deoxy-1-O-methyl-1-C-[(2R,3S)-3,5,7,10-tetrahydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydroanthracen-2-yl]-D-xylulose | Formula: | C21 H24 O9 | SMILES: | CC(O)C(O)C(=O)C(OC)C1Cc2cc3cc(O)c(C)c(O)c3c(O)c2C(=O)C1O | InChi: | InChI=1S/C21H24O9/c1-7-12(23)6-10-4-9-5-11(21(30-3)20(29)16(25)8(2)22)17(26)19(28)14(9)18(27)13(10)15(7)24/h4,6,8,11,16-17,21-27H,5H2,1-3H3/t8-,11-,16+,17+,21+/m1/s1 | Synonyms: | None | Definition date: | 1999-07-08 | Last modified: | 2021-05-11 | Identifier: | (1S)-5-deoxy-1-O-methyl-1-C-[(2R,3S)-3,5,7,10-tetrahydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydroanthracen-2-yl]-D-xylulose |
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![01P 01P](https://data.pdbj.org/pdbjplus/data/cc/svg/01P.svg) | 01P | Name: | N~2~-[3-methoxy-4-(morpholin-4-yl)phenyl]-N~4~-(quinolin-3-yl)pyrimidine-2,4-diamine | Formula: | C24 H24 N6 O2 | SMILES: | n1c5c(cc(c1)Nc2nc(ncc2)Nc4cc(OC)c(N3CCOCC3)cc4)cccc5 | InChi: | InChI=1S/C24H24N6O2/c1-31-22-15-18(6-7-21(22)30-10-12-32-13-11-30)28-24-25-9-8-23(29-24)27-19-14-17-4-2-3-5-20(17)26-16-19/h2-9,14-16H,10-13H2,1H3,(H2,25,27,28,29) | Definition date: | 2011-02-17 | Last modified: | 2021-05-11 | Identifier: | N~2~-[3-methoxy-4-(morpholin-4-yl)phenyl]-N~4~-(quinolin-3-yl)pyrimidine-2,4-diamine |
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![YQJ YQJ](https://data.pdbj.org/pdbjplus/data/cc/svg/YQJ.svg) | YQJ | Name: | N~3~-{4-[3-(dimethylamino)pyrrolidin-1-yl]-6,7-dimethoxyquinazolin-2-yl}-N~1~,N~1~-dimethylpropane-1,3-diamine | Formula: | C21 H34 N6 O2 | SMILES: | CN(C)CCCNc1nc2cc(OC)c(OC)cc2c(n1)N1CCC(C1)N(C)C | InChi: | InChI=1S/C21H34N6O2/c1-25(2)10-7-9-22-21-23-17-13-19(29-6)18(28-5)12-16(17)20(24-21)27-11-8-15(14-27)26(3)4/h12-13,15H,7-11,14H2,1-6H3,(H,22,23,24) | Definition date: | 2021-03-22 | Last modified: | 2021-05-07 | Release date: | 2021-05-12 | Identifier: | N~3~-{4-[3-(dimethylamino)pyrrolidin-1-yl]-6,7-dimethoxyquinazolin-2-yl}-N~1~,N~1~-dimethylpropane-1,3-diamine |
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![S9N S9N](https://data.pdbj.org/pdbjplus/data/cc/svg/S9N.svg) | S9N | Name: | 3-(4-fluorophenyl)-1-sulfamoyl-pyrrole-2-carboxylic acid | Formula: | C11 H9 F N2 O4 S | SMILES: | N[S](=O)(=O)n1ccc(c2ccc(F)cc2)c1C(O)=O | InChi: | InChI=1S/C11H9FN2O4S/c12-8-3-1-7(2-4-8)9-5-6-14(19(13,17)18)10(9)11(15)16/h1-6H,(H,15,16)(H2,13,17,18) | Definition date: | 2020-11-12 | Last modified: | 2021-05-07 | Release date: | 2021-05-12 | Identifier: | 3-(4-fluorophenyl)-1-sulfamoyl-pyrrole-2-carboxylic acid |
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![XVD XVD](https://data.pdbj.org/pdbjplus/data/cc/svg/XVD.svg) | XVD | Name: | 6-[2-chloro-6-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-ol | Formula: | C14 H8 Cl F3 N2 O2 | SMILES: | n3c2c(cc(c1c(cccc1Cl)OC(F)(F)F)cc2)nc3O | InChi: | InChI=1S/C14H8ClF3N2O2/c15-8-2-1-3-11(22-14(16,17)18)12(8)7-4-5-9-10(6-7)20-13(21)19-9/h1-6H,(H2,19,20,21) | Definition date: | 2021-01-15 | Last modified: | 2021-05-07 | Release date: | 2021-05-12 | Identifier: | 6-[2-chloro-6-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-ol |
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![V5M V5M](https://data.pdbj.org/pdbjplus/data/cc/svg/V5M.svg) | V5M | Name: | (2E)-3-{4-hydroxy-3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-5-methoxyphenyl}prop-2-enoic acid | Formula: | C19 H18 O6 | SMILES: | c1(c(cc(cc1)C=Cc2cc(cc(c2O)OC)C=CC(=O)O)OC)O | InChi: | InChI=1S/C19H18O6/c1-24-16-10-12(4-7-15(16)20)3-6-14-9-13(5-8-18(21)22)11-17(25-2)19(14)23/h3-11,20,23H,1-2H3,(H,21,22)/b6-3+,8-5+ | Definition date: | 2020-06-30 | Last modified: | 2021-05-07 | Release date: | 2021-05-12 | Identifier: | (2E)-3-{4-hydroxy-3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-5-methoxyphenyl}prop-2-enoic acid |
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![V5P V5P](https://data.pdbj.org/pdbjplus/data/cc/svg/V5P.svg) | V5P | Name: | lignostilbene | Formula: | C16 H16 O4 | SMILES: | c1(ccc(O)c(c1)OC)C=Cc2cc(c(cc2)O)OC | InChi: | InChI=1S/C16H16O4/c1-19-15-9-11(5-7-13(15)17)3-4-12-6-8-14(18)16(10-12)20-2/h3-10,17-18H,1-2H3/b4-3+ | Synonyms: | 4,4'-[(E)-ethene-1,2-diyl]bis(2-methoxyphenol) | Definition date: | 2020-06-30 | Last modified: | 2021-05-07 | Release date: | 2021-05-12 | Identifier: | 4,4'-[(E)-ethene-1,2-diyl]bis(2-methoxyphenol) |
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![YDY YDY](https://data.pdbj.org/pdbjplus/data/cc/svg/YDY.svg) | YDY | Name: | (2S)-N-[(6aS,7R,9aS)-9a-[(4-fluorophenyl)sulfonyl]-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6,6a,7,8,9,9a-hexahydro-5H-cyclopenta[f]quinolin-7-yl]-2-hydroxy-2-methyl-3-(methylsulfonyl)propanamide | Formula: | C26 H26 F8 N2 O6 S2 | SMILES: | c1(C(C(F)(F)F)(F)C(F)(F)F)nc2c(cc1)C3(C(CC2)C(CC3)NC(=O)C(C)(CS(C)(=O)=O)O)S(c4ccc(F)cc4)(=O)=O | InChi: | InChI=1S/C26H26F8N2O6S2/c1-22(38,13-43(2,39)40)21(37)36-19-11-12-23(44(41,42)15-5-3-14(27)4-6-15)16(19)7-9-18-17(23)8-10-20(35-18)24(28,25(29,30)31)26(32,33)34/h3-6,8,10,16,19,38H,7,9,11-13H2,1-2H3,(H,36,37)/t16-,19+,22+,23-/m0/s1 | Definition date: | 2021-02-23 | Last modified: | 2021-05-07 | Release date: | 2021-05-12 | Identifier: | (2S)-N-[(6aS,7R,9aS)-9a-[(4-fluorophenyl)sulfonyl]-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6,6a,7,8,9,9a-hexahydro-5H-cyclopenta[f]quinolin-7-yl]-2-hydroxy-2-methyl-3-(methylsulfonyl)propanamide |
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![SQH SQH](https://data.pdbj.org/pdbjplus/data/cc/svg/SQH.svg) | SQH | Name: | 2-[3,4-bis(oxidanyl)phenyl]-7,8-bis(oxidanyl)chromen-4-one | Formula: | C15 H10 O6 | SMILES: | Oc1ccc(cc1O)C2=CC(=O)c3ccc(O)c(O)c3O2 | InChi: | InChI=1S/C15H10O6/c16-9-3-1-7(5-12(9)19)13-6-11(18)8-2-4-10(17)14(20)15(8)21-13/h1-6,16-17,19-20H | Synonyms: | 3',4',7,8-Tetrahydroxyflavone | Definition date: | 2020-05-15 | Last modified: | 2021-05-07 | Release date: | 2021-05-12 | Identifier: | 2-[3,4-bis(oxidanyl)phenyl]-7,8-bis(oxidanyl)chromen-4-one |
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