General Information of the Compound
| Compound ID |
CP0691369
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| Compound Name |
Sodium salt 6-[2-(4-fluoro-phenyl)-4-isopropyl-quinolin-3-yloxy]-3,5-dihydroxy-hexanoate
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| Structure |
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| Formula |
C24H25FNNaO5
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| Molecular Weight |
449.454
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| Canonical SMILES |
CC(C)c1c(OCC(O)C[C@@H](O)CC(=O)[O-])c(-c2ccc(F)cc2)nc2ccccc12.[Na+]
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| InChI |
InChI=1S/C24H26FNO5.Na/c1-14(2)22-19-5-3-4-6-20(19)26-23(15-7-9-16(25)10-8-15)24(22)31-13-18(28)11-17(27)12-21(29)30;/h3-10,14,17-18,27-28H,11-13H2,1-2H3,(H,29,30);/q;+1/p-1/t17-,18?;/m1./s1
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| InChIKey |
BUEGLWHUKWTRNH-XRVQSCEISA-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