General Information of the Compound
| Compound ID |
CP0846107
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| Compound Name |
Sodium salt of 7-[1-Cyclohexyl-4-(4-fluoro-phenyl)-2-isopropyl-1H-pyrrol-3-yl]-3,5-dihydroxy-heptanoic acid
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| Structure |
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| Formula |
C26H35FNNaO4
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| Molecular Weight |
467.557
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| Canonical SMILES |
CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC(=O)[O-])c(-c2ccc(F)cc2)cn1C1CCCCC1.[Na+]
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| InChI |
InChI=1S/C26H36FNO4.Na/c1-17(2)26-23(13-12-21(29)14-22(30)15-25(31)32)24(18-8-10-19(27)11-9-18)16-28(26)20-6-4-3-5-7-20;/h8-11,16-17,20-22,29-30H,3-7,12-15H2,1-2H3,(H,31,32);/q;+1/p-1/t21-,22-;/m1./s1
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| InChIKey |
BZFIRXYAXUQHJZ-HLUKFBSCSA-M
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound