General Information of the Compound
| Compound ID |
CP0918465
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| Compound Name |
Sodium salt of 7-[4-(4-Fluoro-phenyl)-2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl]-3,5-dihydroxy-hept-6-enoic acid
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| Structure |
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| Formula |
C25H25FNNaO4
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| Molecular Weight |
445.466
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| Canonical SMILES |
Cc1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])c(-c2ccc(F)cc2)c(C)n1-c1ccccc1.[Na+]
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| InChI |
InChI=1S/C25H26FNO4.Na/c1-16-23(13-12-21(28)14-22(29)15-24(30)31)25(18-8-10-19(26)11-9-18)17(2)27(16)20-6-4-3-5-7-20;/h3-13,21-22,28-29H,14-15H2,1-2H3,(H,30,31);/q;+1/p-1/b13-12+;/t21-,22-;/m1./s1
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| InChIKey |
XBNGSPGTTWODEO-AJOFXCDPSA-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