General Information of the Compound
| Compound ID |
CP0510306
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| Compound Name |
5-[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)pyridin-3-yl]methyl]-2-methoxyquinolin-3-yl]pyrimidine-2-carbonitrile
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| Structure |
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| Formula |
C26H17ClF3N7O2
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| Molecular Weight |
551.916
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| Canonical SMILES |
COc1nc2ccc(cc2c(Cl)c1-c1cnc(nc1)C#N)C(O)(c1cncn1C)c1ccc(nc1)C(F)(F)F
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| InChI |
InChI=1S/C26H17ClF3N7O2/c1-37-13-32-12-20(37)25(38,16-4-6-19(33-11-16)26(28,29)30)15-3-5-18-17(7-15)23(27)22(24(36-18)39-2)14-9-34-21(8-31)35-10-14/h3-7,9-13,38H,1-2H3
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| InChIKey |
ZNOWAPXQJXGMSS-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