General Information of the Compound
| Compound ID |
CP0416701
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| Compound Name |
sodium;(E,3R,5R)-7-[4-(4-fluorophenyl)-2-methyl-1-phenylpyrrol-3-yl]-3,5-dihydroxyhept-6-enoate
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| Structure |
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| Formula |
C24H23FNNaO4
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| Molecular Weight |
431.439
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| Canonical SMILES |
[Na+].Cc1c(\C=C\[C@H](O)C[C@@H](O)CC([O-])=O)c(cn1-c1ccccc1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C24H24FNO4.Na/c1-16-22(12-11-20(27)13-21(28)14-24(29)30)23(17-7-9-18(25)10-8-17)15-26(16)19-5-3-2-4-6-19;/h2-12,15,20-21,27-28H,13-14H2,1H3,(H,29,30);/q;+1/p-1/b12-11+;/t20-,21+;/m0./s1
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| InChIKey |
VFFDESJHNSVRML-DFVOXZGXSA-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