General Information of the Compound
| Compound ID |
CP0412528
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| Compound Name |
CHEMBL4250664
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| Formula |
C22H22F2O7
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| Molecular Weight |
436.407
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| Canonical SMILES |
CO[C@H]1C[C@@H](C1)Oc1cc2OCOc2c(c1)-c1cc(F)c(OCCCC(O)=O)c(F)c1
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| InChI |
InChI=1S/C22H22F2O7/c1-27-13-7-14(8-13)31-15-9-16(21-19(10-15)29-11-30-21)12-5-17(23)22(18(24)6-12)28-4-2-3-20(25)26/h5-6,9-10,13-14H,2-4,7-8,11H2,1H3,(H,25,26)/t13-,14-
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| InChIKey |
FSHCGBQQXWCCFE-HDJSIYSDSA-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