General Information of the Compound
| Compound ID |
CP0879672
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| Compound Name |
Sodium salt of 7-[4-(4-Fluoro-phenyl)-1,2-diisopropyl-1H-pyrrol-3-yl]-3,5-dihydroxy-hept-6-enoic acid
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| Structure |
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| Formula |
C23H29FNNaO4
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| Molecular Weight |
425.476
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| Canonical SMILES |
CC(C)c1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])c(-c2ccc(F)cc2)cn1C(C)C.[Na+]
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| InChI |
InChI=1S/C23H30FNO4.Na/c1-14(2)23-20(10-9-18(26)11-19(27)12-22(28)29)21(13-25(23)15(3)4)16-5-7-17(24)8-6-16;/h5-10,13-15,18-19,26-27H,11-12H2,1-4H3,(H,28,29);/q;+1/p-1/b10-9+;/t18-,19-;/m1./s1
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| InChIKey |
XTONDCSOJQGSGL-OSWQSNKQSA-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