General Information of the Compound
| Compound ID |
CP0399970
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| Compound Name |
3-[(2R)-6-[3-chloro-2-fluoro-5-[(5-methyl-1,3-thiazol-2-yl)oxy]phenyl]-3,4-dihydro-2H-chromen-2-yl]propanoic acid
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| Structure |
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| Formula |
C22H19ClFNO4S
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| Molecular Weight |
447.915
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| Canonical SMILES |
Cc1cnc(Oc2cc(Cl)c(F)c(c2)-c2ccc3O[C@@H](CCC(O)=O)CCc3c2)s1
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| InChI |
InChI=1S/C22H19ClFNO4S/c1-12-11-25-22(30-12)29-16-9-17(21(24)18(23)10-16)13-3-6-19-14(8-13)2-4-15(28-19)5-7-20(26)27/h3,6,8-11,15H,2,4-5,7H2,1H3,(H,26,27)/t15-/m1/s1
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| InChIKey |
LRGYIXNEJRDEDC-OAHLLOKOSA-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