General Information of the Compound
| Compound ID |
CP0478431
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| Compound Name |
CHEMBL4239572
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| Formula |
C23H24F4O5
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| Molecular Weight |
456.432
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| Canonical SMILES |
CO[C@H]1C[C@@H](C1)Oc1cc(F)c(F)c(c1)-c1cc(F)c(OCCC(C)(C)C(O)=O)c(F)c1
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| InChI |
InChI=1S/C23H24F4O5/c1-23(2,22(28)29)4-5-31-21-18(25)6-12(7-19(21)26)16-10-15(11-17(24)20(16)27)32-14-8-13(9-14)30-3/h6-7,10-11,13-14H,4-5,8-9H2,1-3H3,(H,28,29)/t13-,14-
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| InChIKey |
CMMXJIRBHFKHRS-HDJSIYSDSA-N
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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
Protein ID: PT02793, Free fatty acid receptor 1
Protein ID: PT04427, Free fatty acid receptor 4