General Information of the Compound
| Compound ID |
CP0469878
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| Compound Name |
(4-chlorophenyl)-[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol
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| Structure |
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| Formula |
C27H18Cl2F3N3O
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| Molecular Weight |
528.361
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| Canonical SMILES |
Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(c(-c3ccccc3)c(Cl)c2c1)C(F)(F)F
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| InChI |
InChI=1S/C27H18Cl2F3N3O/c1-35-15-33-14-22(35)26(36,17-7-10-19(28)11-8-17)18-9-12-21-20(13-18)24(29)23(16-5-3-2-4-6-16)25(34-21)27(30,31)32/h2-15,36H,1H3
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| InChIKey |
RWMDZUXSXDWAHA-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