General Information of the Compound
| Compound ID |
CP0459598
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| Compound Name |
CHEMBL4459220
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| Formula |
C26H29F3O4
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| Molecular Weight |
462.508
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| Canonical SMILES |
COc1ccc(F)c(c1)[C@H]1CC[C@H](COc2cccc(c2)[C@H](C2CC2)C(F)(F)C(O)=O)CC1
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| InChI |
InChI=1S/C26H29F3O4/c1-32-20-11-12-23(27)22(14-20)17-7-5-16(6-8-17)15-33-21-4-2-3-19(13-21)24(18-9-10-18)26(28,29)25(30)31/h2-4,11-14,16-18,24H,5-10,15H2,1H3,(H,30,31)/t16-,17-,24-/m0/s1
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| InChIKey |
UXHRJKOTJVKQIJ-UAVUOLJFSA-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