General Information of the Compound
| Compound ID |
CP0447470
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| Compound Name |
CHEMBL3890035
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| Formula |
C25H27FO6
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| Molecular Weight |
442.483
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| Canonical SMILES |
CO[C@H]1C[C@@H](C1)Oc1cc(OC)c(F)c(c1)-c1ccc2O[C@H](CCc2c1)[C@@H]1C[C@H]1C(O)=O
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| InChI |
InChI=1S/C25H27FO6/c1-29-15-8-16(9-15)31-17-10-18(24(26)23(11-17)30-2)13-3-5-21-14(7-13)4-6-22(32-21)19-12-20(19)25(27)28/h3,5,7,10-11,15-16,19-20,22H,4,6,8-9,12H2,1-2H3,(H,27,28)/t15-,16-,19-,20-,22-/m1/s1
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| InChIKey |
AITHVIDGNXLLKL-OXVRBNNJSA-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