General Information of the Compound
| Compound ID |
CP0452049
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| Compound Name |
(1S,2S)-2-[(2R)-6-[2-fluoro-5-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromen-2-yl]cyclopropane-1-carboxylic acid
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| Structure |
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| Formula |
C20H16F4O4
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| Molecular Weight |
396.336
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| Canonical SMILES |
OC(=O)[C@H]1C[C@@H]1[C@H]1CCc2cc(ccc2O1)-c1cc(OC(F)(F)F)ccc1F
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| InChI |
InChI=1S/C20H16F4O4/c21-16-4-3-12(28-20(22,23)24)8-13(16)10-1-5-17-11(7-10)2-6-18(27-17)14-9-15(14)19(25)26/h1,3-5,7-8,14-15,18H,2,6,9H2,(H,25,26)/t14-,15-,18+/m0/s1
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| InChIKey |
WMWFFHNBBDQENV-RLFYNMQTSA-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