General Information of the Compound
| Compound ID |
CP0429547
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| Compound Name |
(3-benzyl-4-chloro-2-methoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)pyridin-3-yl]methanol
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| Structure |
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| Formula |
C28H22ClF3N4O2
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| Molecular Weight |
538.957
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| Canonical SMILES |
COc1nc2ccc(cc2c(Cl)c1Cc1ccccc1)C(O)(c1cncn1C)c1ccc(nc1)C(F)(F)F
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| InChI |
InChI=1S/C28H22ClF3N4O2/c1-36-16-33-15-24(36)27(37,19-9-11-23(34-14-19)28(30,31)32)18-8-10-22-20(13-18)25(29)21(26(35-22)38-2)12-17-6-4-3-5-7-17/h3-11,13-16,37H,12H2,1-2H3
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| InChIKey |
GUJAHZDXERJZMS-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