General Information of the Compound
| Compound ID |
CP0459377
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| Compound Name |
CHEMBL4513748
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| Formula |
C27H33FO4
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| Molecular Weight |
440.555
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| Canonical SMILES |
COc1ccc(F)c(c1)[C@H]1CC[C@H](COc2cccc(c2)[C@@H]([C@@H](C)C(O)=O)C2CC2)CC1
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| InChI |
InChI=1S/C27H33FO4/c1-17(27(29)30)26(20-10-11-20)21-4-3-5-23(14-21)32-16-18-6-8-19(9-7-18)24-15-22(31-2)12-13-25(24)28/h3-5,12-15,17-20,26H,6-11,16H2,1-2H3,(H,29,30)/t17-,18-,19-,26+/m1/s1
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| InChIKey |
HIZJLJKRIIOELO-RHSUCHPKSA-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