General Information of the Compound
| Compound ID |
CP0414419
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| Compound Name |
5-[2-[(2R)-6-[2-fluoro-3-methoxy-5-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromen-2-yl]ethyl]-2H-tetrazole
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| Structure |
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| Formula |
C20H18F4N4O3
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| Molecular Weight |
438.381
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| Canonical SMILES |
COc1cc(OC(F)(F)F)cc(c1F)-c1ccc2O[C@@H](CCc3nnn[nH]3)CCc2c1
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| InChI |
InChI=1S/C20H18F4N4O3/c1-29-17-10-14(31-20(22,23)24)9-15(19(17)21)11-3-6-16-12(8-11)2-4-13(30-16)5-7-18-25-27-28-26-18/h3,6,8-10,13H,2,4-5,7H2,1H3,(H,25,26,27,28)/t13-/m1/s1
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| InChIKey |
YMVZAGADFKMGQW-CYBMUJFWSA-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