General Information of the Compound
| Compound ID |
CP0432203
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| Compound Name |
3-[(2R)-6-[2-fluoro-3-methoxy-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 |
C23H22FNO5S
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| Molecular Weight |
443.496
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| Canonical SMILES |
COc1cc(Oc2ncc(C)s2)cc(c1F)-c1ccc2O[C@@H](CCC(O)=O)CCc2c1
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| InChI |
InChI=1S/C23H22FNO5S/c1-13-12-25-23(31-13)30-17-10-18(22(24)20(11-17)28-2)14-4-7-19-15(9-14)3-5-16(29-19)6-8-21(26)27/h4,7,9-12,16H,3,5-6,8H2,1-2H3,(H,26,27)/t16-/m1/s1
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| InChIKey |
HICVLXFTBNJIEQ-MRXNPFEDSA-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