General Information of the Compound
| Compound ID |
CP0459083
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| Compound Name |
(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)pyridin-3-yl]methanol
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| Structure |
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| Formula |
C26H17Cl2F3N4O
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| Molecular Weight |
529.349
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| Canonical SMILES |
Cn1cncc1C(O)(c1ccc(nc1)C(F)(F)F)c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1
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| InChI |
InChI=1S/C26H17Cl2F3N4O/c1-35-14-32-13-21(35)25(36,17-8-10-20(33-12-17)26(29,30)31)16-7-9-19-18(11-16)23(27)22(24(28)34-19)15-5-3-2-4-6-15/h2-14,36H,1H3
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| InChIKey |
VJAQXGCTELZGTH-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