General Information of the Compound
| Compound ID |
CP0384206
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| Compound Name |
CHEMBL4541658
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| Formula |
C28H35FO4
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| Molecular Weight |
454.582
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| Canonical SMILES |
COc1ccc(F)c(c1)[C@H]1CC[C@H](COc2cccc(c2)[C@H](C2CC2)C(C)(C)C(O)=O)CC1
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| InChI |
InChI=1S/C28H35FO4/c1-28(2,27(30)31)26(20-11-12-20)21-5-4-6-23(15-21)33-17-18-7-9-19(10-8-18)24-16-22(32-3)13-14-25(24)29/h4-6,13-16,18-20,26H,7-12,17H2,1-3H3,(H,30,31)/t18-,19-,26-/m0/s1
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| InChIKey |
OVDXPEDIWITCEX-DGUDUIIESA-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: PT02522, Free fatty acid receptor 1