General Information of the Compound
| Compound ID |
CP0478430
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| Compound Name |
CHEMBL4246396
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| Formula |
C21H20F4O5
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| Molecular Weight |
428.378
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| Canonical SMILES |
CO[C@H]1C[C@@H](C1)Oc1cc(F)c(F)c(c1)-c1cc(F)c(OCCCC(O)=O)c(F)c1
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| InChI |
InChI=1S/C21H20F4O5/c1-28-12-7-13(8-12)30-14-9-15(20(25)16(22)10-14)11-5-17(23)21(18(24)6-11)29-4-2-3-19(26)27/h5-6,9-10,12-13H,2-4,7-8H2,1H3,(H,26,27)/t12-,13-
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| InChIKey |
ZVAGGMRLUCCJOJ-JOCQHMNTSA-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