General Information of the Compound
| Compound ID |
CP0558597
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| Compound Name |
CHEMBL4246334
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| Formula |
C25H28F4O5
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| Molecular Weight |
484.486
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| Canonical SMILES |
CO[C@H]1C[C@@H](C1)Oc1cc(F)c(F)c(c1)-c1cc(F)c(OCCCCCCCC(O)=O)c(F)c1
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| InChI |
InChI=1S/C25H28F4O5/c1-32-16-11-17(12-16)34-18-13-19(24(29)20(26)14-18)15-9-21(27)25(22(28)10-15)33-8-6-4-2-3-5-7-23(30)31/h9-10,13-14,16-17H,2-8,11-12H2,1H3,(H,30,31)/t16-,17-
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| InChIKey |
IOYMHJKXOJFOGV-QAQDUYKDSA-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