![RH8 RH8](https://data.pdbj.org/pdbjplus/data/cc/svg/RH8.svg) | RH8 | Name: | ~{N}-[3-fluoranyl-4-(4-methylpiperazin-1-yl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine | Formula: | C21 H21 F N8 | SMILES: | CN1CCN(CC1)c2ccc(Nc3nccc(n3)c4cnn5ncccc45)cc2F | InChi: | InChI=1S/C21H21FN8/c1-28-9-11-29(12-10-28)20-5-4-15(13-17(20)22)26-21-23-8-6-18(27-21)16-14-25-30-19(16)3-2-7-24-30/h2-8,13-14H,9-12H2,1H3,(H,23,26,27) | Definition date: | 2020-09-29 | Last modified: | 2020-11-06 | Release date: | 2020-11-11 | Identifier: | ~{N}-[3-fluoranyl-4-(4-methylpiperazin-1-yl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine |
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![Q52 Q52](https://data.pdbj.org/pdbjplus/data/cc/svg/Q52.svg) | Q52 | Name: | ~{N}-[(4-chlorophenyl)methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine | Formula: | C23 H27 Cl N4 O | SMILES: | COc1ccc2nccc(CCN3CCC(CC3)NCc4ccc(Cl)cc4)c2n1 | InChi: | InChI=1S/C23H27ClN4O/c1-29-22-7-6-21-23(27-22)18(8-12-25-21)9-13-28-14-10-20(11-15-28)26-16-17-2-4-19(24)5-3-17/h2-8,12,20,26H,9-11,13-16H2,1H3 | Definition date: | 2020-05-13 | Last modified: | 2020-11-06 | Release date: | 2020-11-11 | Identifier: | ~{N}-[(4-chlorophenyl)methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine |
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![Q6K Q6K](https://data.pdbj.org/pdbjplus/data/cc/svg/Q6K.svg) | Q6K | Name: | ~{N}-[2-[2-(dimethylamino)ethyl-methyl-amino]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]propanamide | Formula: | C28 H35 N7 O2 | SMILES: | CCC(=O)Nc1cc(Nc2nccc(n2)c3cn(C)c4ccccc34)c(OC)cc1N(C)CCN(C)C | InChi: | InChI=1S/C28H35N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h8-13,16-18H,7,14-15H2,1-6H3,(H,30,36)(H,29,31,32) | Definition date: | 2020-05-25 | Last modified: | 2020-11-06 | Release date: | 2020-11-11 | Identifier: | ~{N}-[2-[2-(dimethylamino)ethyl-methyl-amino]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]propanamide |
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![RUZ RUZ](https://data.pdbj.org/pdbjplus/data/cc/svg/RUZ.svg) | RUZ | Name: | [(2~{R},3~{S},4~{R},5~{R})-5-[7-azanyl-5-(hydroxymethyl)benzimidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-3-oxidanyl-propanoyl]sulfamate | Formula: | C16 H23 N5 O9 S | SMILES: | N[CH](CO)C(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3cc(CO)cc(N)c23 | InChi: | InChI=1S/C16H23N5O9S/c17-8-1-7(3-22)2-10-12(8)21(6-19-10)16-14(25)13(24)11(30-16)5-29-31(27,28)20-15(26)9(18)4-23/h1-2,6,9,11,13-14,16,22-25H,3-5,17-18H2,(H,20,26)/t9-,11+,13+,14+,16+/m0/s1 | Synonyms: | SerS7HMDDA | Definition date: | 2020-10-21 | Last modified: | 2020-11-06 | Release date: | 2020-11-11 | Identifier: | [(2~{R},3~{S},4~{R},5~{R})-5-[7-azanyl-5-(hydroxymethyl)benzimidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-3-oxidanyl-propanoyl]sulfamate |
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![NQD NQD](https://data.pdbj.org/pdbjplus/data/cc/svg/NQD.svg) | NQD | Name: | (2Z,6E,10E)-13-[(2R)-6-hydroxy-2,8-dimethyl-3,4-dihydro-2H-1-benzopyran-2-yl]-2,6,10-trimethyltrideca-2,6,10-trienoic acid | Formula: | C27 H38 O4 | SMILES: | C(CC(=CCCC2(C)CCc1cc(cc(c1O2)C)O)C)[C@H]=C(C)CCC=C(/C(=O)O)C | InChi: | InChI=1S/C27H38O4/c1-19(11-7-13-21(3)26(29)30)9-6-10-20(2)12-8-15-27(5)16-14-23-18-24(28)17-22(4)25(23)31-27/h9,12-13,17-18,28H,6-8,10-11,14-16H2,1-5H3,(H,29,30)/b19-9+,20-12+,21-13-/t27-/m1/s1 | Synonyms: | garcinoic acid | Definition date: | 2019-05-23 | Last modified: | 2020-11-06 | Release date: | 2020-04-01 | Identifier: | (2Z,6E,10E)-13-[(2R)-6-hydroxy-2,8-dimethyl-3,4-dihydro-2H-1-benzopyran-2-yl]-2,6,10-trimethyltrideca-2,6,10-trienoic acid |
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![T4T T4T](https://data.pdbj.org/pdbjplus/data/cc/svg/T4T.svg) | T4T | Name: | 2-tetradecylsulfanylethanoic acid | Formula: | C16 H32 O2 S | SMILES: | CCCCCCCCCCCCCCSCC(O)=O | InChi: | InChI=1S/C16H32O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-15-16(17)18/h2-15H2,1H3,(H,17,18) | Definition date: | 2018-07-10 | Last modified: | 2020-11-06 | Release date: | 2020-11-11 | Identifier: | 2-tetradecylsulfanylethanoic acid |
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![C5F C5F](https://data.pdbj.org/pdbjplus/data/cc/svg/C5F.svg) | C5F | Name: | 2-{4-[(1S)-2,2-dichlorocyclopropyl]phenoxy}-2-methylpropanoic acid | Formula: | C13 H14 Cl2 O3 | SMILES: | C1(C(Cl)(C1)Cl)c2ccc(cc2)OC(C(=O)O)(C)C | InChi: | InChI=1S/C13H14Cl2O3/c1-12(2,11(16)17)18-9-5-3-8(4-6-9)10-7-13(10,14)15/h3-6,10H,7H2,1-2H3,(H,16,17)/t10-/m0/s1 | Definition date: | 2019-01-23 | Last modified: | 2020-11-06 | Release date: | 2020-11-11 | Identifier: | 2-{4-[(1S)-2,2-dichlorocyclopropyl]phenoxy}-2-methylpropanoic acid |
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![CD0 CD0](https://data.pdbj.org/pdbjplus/data/cc/svg/CD0.svg) | CD0 | Name: | 2-[(1R,2R,5S)-5-methyl-2-(prop-1-en-2-yl)cyclohexyl]-5-pentylbenzene-1,3-diol | Formula: | C21 H32 O2 | SMILES: | c1(c(c(O)cc(c1)CCCCC)C2C(CCC(C2)C)/C(C)=C)O | InChi: | InChI=1S/C21H32O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h12-13,15,17-18,22-23H,2,5-11H2,1,3-4H3/t15-,17-,18+/m0/s1 | Definition date: | 2018-05-09 | Last modified: | 2020-11-06 | Release date: | 2020-11-11 | Identifier: | 2-[(1R,2R,5S)-5-methyl-2-(prop-1-en-2-yl)cyclohexyl]-5-pentylbenzene-1,3-diol |
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![UA7 UA7](https://data.pdbj.org/pdbjplus/data/cc/svg/UA7.svg) | UA7 | Name: | Brodifacoum | Formula: | C31 H23 Br O3 | SMILES: | C4C(c2ccc(c1ccc(cc1)Br)cc2)Cc3ccccc3C4C=5C(Oc6c(C=5O)cccc6)=O | InChi: | InChI=1S/C31H23BrO3/c32-24-15-13-20(14-16-24)19-9-11-21(12-10-19)23-17-22-5-1-2-6-25(22)27(18-23)29-30(33)26-7-3-4-8-28(26)35-31(29)34/h1-16,23,27,33H,17-18H2/t23-,27-/m1/s1 | Synonyms: | 3-[(1R,3S)-3-(4'-bromo[1,1'-biphenyl]-4-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-hydroxy-2H-1-benzopyran-2-one | Definition date: | 2020-05-06 | Last modified: | 2020-11-06 | Release date: | 2020-11-11 | Identifier: | 3-[(1R,3S)-3-(4'-bromo[1,1'-biphenyl]-4-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-hydroxy-2H-1-benzopyran-2-one |
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![UAJ UAJ](https://data.pdbj.org/pdbjplus/data/cc/svg/UAJ.svg) | UAJ | Name: | Chlorophacinone | Formula: | C23 H15 Cl O3 | SMILES: | c1ccc(cc1)C(C(C3C(=O)c2ccccc2C3=O)=O)c4ccc(Cl)cc4 | InChi: | InChI=1S/C23H15ClO3/c24-16-12-10-15(11-13-16)19(14-6-2-1-3-7-14)23(27)20-21(25)17-8-4-5-9-18(17)22(20)26/h1-13,19-20H/t19-/m1/s1 | Synonyms: | 2-[(2R)-2-(4-chlorophenyl)-2-phenylacetyl]-1H-indene-1,3(2H)-dione | Definition date: | 2020-05-06 | Last modified: | 2020-11-06 | Release date: | 2020-11-11 | Identifier: | 2-[(2R)-2-(4-chlorophenyl)-2-phenylacetyl]-1H-indene-1,3(2H)-dione |
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![UAV UAV](https://data.pdbj.org/pdbjplus/data/cc/svg/UAV.svg) | UAV | Name: | (2R,3R)-2-hydroxy-3-methyl-2-[(2E,7S)-3,7,11,15-tetramethylhexadec-2-en-1-yl]-2,3-dihydronaphthalene-1,4-dione | Formula: | C31 H48 O3 | SMILES: | c12c(cccc1)C(=O)C(C[C@H]=C(CCCC(CCCC(CCCC(C)C)C)C)C)(C(C2=O)C)O | InChi: | InChI=1S/C31H48O3/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-31(34)26(6)29(32)27-18-7-8-19-28(27)30(31)33/h7-8,18-20,22-24,26,34H,9-17,21H2,1-6H3/b25-20+/t23?,24-,26-,31+/m0/s1 | Definition date: | 2020-05-06 | Last modified: | 2020-11-06 | Release date: | 2020-11-11 | Identifier: | (2R,3R)-2-hydroxy-3-methyl-2-[(2E,7S)-3,7,11,15-tetramethylhexadec-2-en-1-yl]-2,3-dihydronaphthalene-1,4-dione |
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![GB9 GB9](https://data.pdbj.org/pdbjplus/data/cc/svg/GB9.svg) | GB9 | Name: | N-(6-chloranylpyridin-3-yl)-4-fluoranyl-benzamide | Formula: | C12 H8 Cl F N2 O | SMILES: | Fc1ccc(cc1)C(=O)Nc2ccc(Cl)nc2 | InChi: | InChI=1S/C12H8ClFN2O/c13-11-6-5-10(7-15-11)16-12(17)8-1-3-9(14)4-2-8/h1-7H,(H,16,17) | Synonyms: | ztz240 | Definition date: | 2020-08-17 | Last modified: | 2020-11-05 | Release date: | 2020-09-16 | Identifier: | ~{N}-(6-chloranylpyridin-3-yl)-4-fluoranyl-benzamide |
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![FBX FBX](https://data.pdbj.org/pdbjplus/data/cc/svg/FBX.svg) | FBX | Name: | ethyl N-[2-azanyl-4-[(4-fluorophenyl)methylamino]phenyl]carbamate | Formula: | C16 H18 F N3 O2 | SMILES: | CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)cc1N | InChi: | InChI=1S/C16H18FN3O2/c1-2-22-16(21)20-15-8-7-13(9-14(15)18)19-10-11-3-5-12(17)6-4-11/h3-9,19H,2,10,18H2,1H3,(H,20,21) | Synonyms: | Retigabine, Ezogabine | Definition date: | 2020-04-27 | Last modified: | 2020-11-05 | Release date: | 2020-09-16 | Identifier: | ethyl ~{N}-[2-azanyl-4-[(4-fluorophenyl)methylamino]phenyl]carbamate |
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![4D6 4D6](https://data.pdbj.org/pdbjplus/data/cc/svg/4D6.svg) | 4D6 | Name: | Vaborbactam | Formula: | C12 H16 B N O5 S | SMILES: | c2ccc(CC(NC1CCC(OB1O)CC(=O)O)=O)s2 | InChi: | InChI=1S/C12H16BNO5S/c15-11(7-9-2-1-5-20-9)14-10-4-3-8(6-12(16)17)19-13(10)18/h1-2,5,8,10,18H,3-4,6-7H2,(H,14,15)(H,16,17)/t8-,10-/m0/s1 | Synonyms: | {(3R,6S)-2-hydroxy-3-[(thiophen-2-ylacetyl)amino]-1,2-oxaborinan-6-yl}acetic acid | Definition date: | 2015-03-03 | Last modified: | 2020-11-04 | Release date: | 2015-04-01 | Identifier: | {(3R,6S)-2-hydroxy-3-[(thiophen-2-ylacetyl)amino]-1,2-oxaborinan-6-yl}acetic acid |
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![WFY WFY](https://data.pdbj.org/pdbjplus/data/cc/svg/WFY.svg) | WFY | Name: | 4-chloro-1-{(1S)-1-[(3S)-3-fluoropyrrolidin-3-yl]ethyl}-3-methyl-1H-pyrrolo[2,3-b]pyridine-6-carboxamide | Formula: | C15 H18 Cl F N4 O | SMILES: | Clc1cc(C(=O)N)nc2c1c(C)cn2C(C)C3(CNCC3)F | InChi: | InChI=1S/C15H18ClFN4O/c1-8-6-21(9(2)15(17)3-4-19-7-15)14-12(8)10(16)5-11(20-14)13(18)22/h5-6,9,19H,3-4,7H2,1-2H3,(H2,18,22)/t9-,15-/m0/s1 | Definition date: | 2020-10-27 | Last modified: | 2020-10-30 | Release date: | 2020-11-04 | Identifier: | 4-chloro-1-{(1S)-1-[(3S)-3-fluoropyrrolidin-3-yl]ethyl}-3-methyl-1H-pyrrolo[2,3-b]pyridine-6-carboxamide |
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![FB9 FB9](https://data.pdbj.org/pdbjplus/data/cc/svg/FB9.svg) | FB9 | Name: | (3S,4R,8R,9R,10S)-N-(4-cyclopropyloxyphenyl)-10-(methoxymethyl)-3,4-bis(oxidanyl)-9-[4-(2-phenylethynyl)phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide | Formula: | C34 H37 N3 O5 | SMILES: | COC[CH]1[CH]([CH]2CN(C[CH](O)[CH](O)CN12)C(=O)Nc3ccc(OC4CC4)cc3)c5ccc(cc5)C#Cc6ccccc6 | InChi: | InChI=1S/C34H37N3O5/c1-41-22-30-33(25-11-9-24(10-12-25)8-7-23-5-3-2-4-6-23)29-19-36(20-31(38)32(39)21-37(29)30)34(40)35-26-13-15-27(16-14-26)42-28-17-18-28/h2-6,9-16,28-33,38-39H,17-22H2,1H3,(H,35,40)/t29-,30+,31+,32-,33+/m0/s1 | Definition date: | 2020-04-27 | Last modified: | 2020-10-30 | Release date: | 2020-11-04 | Identifier: | (3~{S},4~{R},8~{R},9~{R},10~{S})-~{N}-(4-cyclopropyloxyphenyl)-10-(methoxymethyl)-3,4-bis(oxidanyl)-9-[4-(2-phenylethynyl)phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide |
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![E6O E6O](https://data.pdbj.org/pdbjplus/data/cc/svg/E6O.svg) | E6O | Name: | 5-chloro-2-(N-((1S,2R)-2-(2,3-dihydro-1H-inden-4-yl)-1-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propyl)sulfamoyl)benzamide | Formula: | C21 H21 Cl N4 O5 S | SMILES: | C[CH]([CH](N[S](=O)(=O)c1ccc(Cl)cc1C(N)=O)C2=NNC(=O)O2)c3cccc4CCCc34 | InChi: | InChI=1S/C21H21ClN4O5S/c1-11(14-6-2-4-12-5-3-7-15(12)14)18(20-24-25-21(28)31-20)26-32(29,30)17-9-8-13(22)10-16(17)19(23)27/h2,4,6,8-11,18,26H,3,5,7H2,1H3,(H2,23,27)(H,25,28)/t11-,18+/m1/s1 | Definition date: | 2019-11-06 | Last modified: | 2020-10-30 | Release date: | 2020-11-04 | Identifier: | 5-chloranyl-2-[[(1~{S},2~{R})-2-(2,3-dihydro-1~{H}-inden-4-yl)-1-(2-oxidanylidene-3~{H}-1,3,4-oxadiazol-5-yl)propyl]sulfamoyl]benzamide |
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![EL6 EL6](https://data.pdbj.org/pdbjplus/data/cc/svg/EL6.svg) | EL6 | Name: | [(2S)-2-octadecanoyloxypropyl] octadecanoate | Formula: | C39 H76 O4 | SMILES: | CCCCCCCCCCCCCCCCCC(=O)OC[CH](C)OC(=O)CCCCCCCCCCCCCCCCC | InChi: | InChI=1S/C39H76O4/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-38(40)42-36-37(3)43-39(41)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h37H,4-36H2,1-3H3/t37-/m0/s1 | Definition date: | 2020-01-10 | Last modified: | 2020-10-30 | Release date: | 2020-11-04 | Identifier: | [(2~{S})-2-octadecanoyloxypropyl] octadecanoate |
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![GYX GYX](https://data.pdbj.org/pdbjplus/data/cc/svg/GYX.svg) | GYX | Name: | N-[(3-acetamidophenyl)methyl]-1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide | Formula: | C27 H31 N3 O2 | SMILES: | C[CH](N1CCC(CC1)C(=O)NCc2cccc(NC(C)=O)c2)c3cccc4ccccc34 | InChi: | InChI=1S/C27H31N3O2/c1-19(25-12-6-9-22-8-3-4-11-26(22)25)30-15-13-23(14-16-30)27(32)28-18-21-7-5-10-24(17-21)29-20(2)31/h3-12,17,19,23H,13-16,18H2,1-2H3,(H,28,32)(H,29,31)/t19-/m1/s1 | Definition date: | 2020-10-09 | Last modified: | 2020-10-30 | Release date: | 2020-11-04 | Identifier: | ~{N}-[(3-acetamidophenyl)methyl]-1-[(1~{R})-1-naphthalen-1-ylethyl]piperidine-4-carboxamide |
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![N28 N28](https://data.pdbj.org/pdbjplus/data/cc/svg/N28.svg) | N28 | Name: | 4-[[[4-(aminomethyl)phenyl]carbamoyl-(4-oxidanylbutyl)amino]methyl]-~{N}-oxidanyl-benzamide | Formula: | C20 H26 N4 O4 | SMILES: | NCc1ccc(NC(=O)N(CCCCO)Cc2ccc(cc2)C(=O)NO)cc1 | InChi: | InChI=1S/C20H26N4O4/c21-13-15-5-9-18(10-6-15)22-20(27)24(11-1-2-12-25)14-16-3-7-17(8-4-16)19(26)23-28/h3-10,25,28H,1-2,11-14,21H2,(H,22,27)(H,23,26) | Definition date: | 2019-11-07 | Last modified: | 2020-10-30 | Release date: | 2020-11-04 | Identifier: | 4-[[[4-(aminomethyl)phenyl]carbamoyl-(4-oxidanylbutyl)amino]methyl]-~{N}-oxidanyl-benzamide |
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![EYR EYR](https://data.pdbj.org/pdbjplus/data/cc/svg/EYR.svg) | EYR | Name: | (6~{E},10~{E},14~{E},18~{E},22~{E},26~{E},30~{R})-2,6,10,14,18,22,26,30-octamethyldotriaconta-2,6,10,14,18,22,26-heptaene | Formula: | C40 H68 | SMILES: | CC[CH](C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C | InChi: | InChI=1S/C40H68/c1-11-34(4)20-13-22-36(6)24-15-26-38(8)28-17-30-40(10)32-18-31-39(9)29-16-27-37(7)25-14-23-35(5)21-12-19-33(2)3/h19,22-23,26-27,30-31,34H,11-18,20-21,24-25,28-29,32H2,1-10H3/b35-23+,36-22+,37-27+,38-26+,39-31+,40-30+/t34-/m1/s1 | Definition date: | 2020-02-26 | Last modified: | 2020-10-30 | Release date: | 2020-11-04 | Identifier: | (6~{E},10~{E},14~{E},18~{E},22~{E},26~{E},30~{R})-2,6,10,14,18,22,26,30-octamethyldotriaconta-2,6,10,14,18,22,26-heptaene |
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![EZC EZC](https://data.pdbj.org/pdbjplus/data/cc/svg/EZC.svg) | EZC | Name: | 2-[[(2~{R})-2-butyl-6,7-bis(chloranyl)-2-cyclopentyl-1-oxidanylidene-3~{H}-inden-5-yl]oxy]ethanoic acid | Formula: | C20 H24 Cl2 O4 | SMILES: | CCCC[C]1(Cc2cc(OCC(O)=O)c(Cl)c(Cl)c2C1=O)C3CCCC3 | InChi: | InChI=1S/C20H24Cl2O4/c1-2-3-8-20(13-6-4-5-7-13)10-12-9-14(26-11-15(23)24)17(21)18(22)16(12)19(20)25/h9,13H,2-8,10-11H2,1H3,(H,23,24)/t20-/m1/s1 | Definition date: | 2020-02-27 | Last modified: | 2020-10-30 | Release date: | 2020-11-04 | Identifier: | 2-[[(2~{R})-2-butyl-6,7-bis(chloranyl)-2-cyclopentyl-1-oxidanylidene-3~{H}-inden-5-yl]oxy]ethanoic acid |
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![QOQ QOQ](https://data.pdbj.org/pdbjplus/data/cc/svg/QOQ.svg) | QOQ | Name: | 5-[bis(fluoranyl)methyl]-7-[(3~{S})-1-[(2-chloranyl-6-methyl-pyridin-4-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine | Formula: | C18 H19 Cl F2 N6 | SMILES: | Cc1cc(CN2CCC[CH](C2)c3cc(nc4ncnn34)C(F)F)cc(Cl)n1 | InChi: | InChI=1S/C18H19ClF2N6/c1-11-5-12(6-16(19)24-11)8-26-4-2-3-13(9-26)15-7-14(17(20)21)25-18-22-10-23-27(15)18/h5-7,10,13,17H,2-4,8-9H2,1H3/t13-/m0/s1 | Definition date: | 2020-07-13 | Last modified: | 2020-10-30 | Release date: | 2020-11-04 | Identifier: | 5-[bis(fluoranyl)methyl]-7-[(3~{S})-1-[(2-chloranyl-6-methyl-pyridin-4-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine |
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![QTT QTT](https://data.pdbj.org/pdbjplus/data/cc/svg/QTT.svg) | QTT | Name: | 2-[[(1~{S},2~{S})-2-[methyl-[(6-methylpyridin-2-yl)methyl]amino]cyclohexyl]-[(6-methylpyridin-2-yl)methyl]amino]ethanoic acid | Formula: | C23 H32 N4 O2 | SMILES: | CN(Cc1cccc(C)n1)[CH]2CCCC[CH]2N(CC(O)=O)Cc3cccc(C)n3 | InChi: | InChI=1S/C23H32N4O2/c1-17-8-6-10-19(24-17)14-26(3)21-12-4-5-13-22(21)27(16-23(28)29)15-20-11-7-9-18(2)25-20/h6-11,21-22H,4-5,12-16H2,1-3H3,(H,28,29)/t21-,22-/m0/s1 | Definition date: | 2020-08-07 | Last modified: | 2020-10-30 | Release date: | 2020-11-04 | Identifier: | 2-[[(1~{S},2~{S})-2-[methyl-[(6-methylpyridin-2-yl)methyl]amino]cyclohexyl]-[(6-methylpyridin-2-yl)methyl]amino]ethanoic acid |
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![R4P R4P](https://data.pdbj.org/pdbjplus/data/cc/svg/R4P.svg) | R4P | Name: | 1-methyl-5-(2'-methyl[1,1'-biphenyl]-4-yl)-1H-benzotriazole-7-carboxylic acid | Formula: | C21 H17 N3 O2 | SMILES: | c1(cc(cc2c1n(C)nn2)c3ccc(cc3)c4c(cccc4)C)C(=O)O | InChi: | InChI=1S/C21H17N3O2/c1-13-5-3-4-6-17(13)15-9-7-14(8-10-15)16-11-18(21(25)26)20-19(12-16)22-23-24(20)2/h3-12H,1-2H3,(H,25,26) | Definition date: | 2020-01-30 | Last modified: | 2020-10-30 | Release date: | 2020-11-04 | Identifier: | 1-methyl-5-(2'-methyl[1,1'-biphenyl]-4-yl)-1H-benzotriazole-7-carboxylic acid |
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