General Information of the Compound
| Compound ID |
CP0048202
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| Compound Name |
CHEMBL3980898
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| Formula |
C22H23F2NO5
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| Molecular Weight |
419.424
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| Canonical SMILES |
CO[C@H]1C[C@@H](C1)Oc1cc(F)c(F)c(n1)-c1ccc2O[C@@H](CCC(O)=O)CCc2c1
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| InChI |
InChI=1S/C22H23F2NO5/c1-28-15-9-16(10-15)30-19-11-17(23)21(24)22(25-19)13-3-6-18-12(8-13)2-4-14(29-18)5-7-20(26)27/h3,6,8,11,14-16H,2,4-5,7,9-10H2,1H3,(H,26,27)/t14-,15-,16-/m1/s1
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| InChIKey |
PGPQNVUVHSSUSY-BZUAXINKSA-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: PT03121, Free fatty acid receptor 4
Protein ID: PT04427, Free fatty acid receptor 4