General Information of the Compound
| Compound ID |
CP0380759
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| Compound Name |
3-[(2S)-6-[2-fluoro-5-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromen-2-yl]propanoic acid
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| Structure |
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| Formula |
C19H16F4O4
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| Molecular Weight |
384.325
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| Canonical SMILES |
OC(=O)CC[C@@H]1CCc2cc(ccc2O1)-c1cc(OC(F)(F)F)ccc1F
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| InChI |
InChI=1S/C19H16F4O4/c20-16-6-4-14(27-19(21,22)23)10-15(16)11-2-7-17-12(9-11)1-3-13(26-17)5-8-18(24)25/h2,4,6-7,9-10,13H,1,3,5,8H2,(H,24,25)/t13-/m0/s1
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| InChIKey |
KQNFDFQXGLAIFE-ZDUSSCGKSA-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