General Information of the Compound
| Compound ID |
CP0447471
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| Compound Name |
(1R,2R)-2-[(2R)-6-(5-cyclobutyloxy-2-fluoro-3-methoxyphenyl)-3,4-dihydro-2H-chromen-2-yl]cyclopropane-1-carboxylic acid
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| Structure |
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| Formula |
C24H25FO5
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| Molecular Weight |
412.457
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| Canonical SMILES |
COc1cc(OC2CCC2)cc(c1F)-c1ccc2O[C@H](CCc2c1)[C@@H]1C[C@H]1C(O)=O
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| InChI |
InChI=1S/C24H25FO5/c1-28-22-11-16(29-15-3-2-4-15)10-17(23(22)25)13-5-7-20-14(9-13)6-8-21(30-20)18-12-19(18)24(26)27/h5,7,9-11,15,18-19,21H,2-4,6,8,12H2,1H3,(H,26,27)/t18-,19-,21-/m1/s1
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| InChIKey |
KGVVLWXNJCAKLX-SFHLNBCPSA-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