General Information of the Compound
| Compound ID |
CP0412832
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| Compound Name |
[4-methoxy-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)pyridin-3-yl]methanol
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| Structure |
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| Formula |
C28H20F6N4O2
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| Molecular Weight |
558.482
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| Canonical SMILES |
COc1c(-c2ccccc2)c(nc2ccc(cc12)C(O)(c1cncn1C)c1ccc(nc1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C28H20F6N4O2/c1-38-15-35-14-22(38)26(39,18-9-11-21(36-13-18)27(29,30)31)17-8-10-20-19(12-17)24(40-2)23(16-6-4-3-5-7-16)25(37-20)28(32,33)34/h3-15,39H,1-2H3
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| InChIKey |
RHGHEFUNPQAKRE-UHFFFAOYSA-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