General Information of the Compound
| Compound ID |
CP0372507
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| Compound Name |
6-(4-chlorophenyl)-2-(2-methylphenyl)-3-{[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl}quinazolin-4(3H)-one
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| Structure |
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| Formula |
C29H27ClF3N3O
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| Molecular Weight |
526.002
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| Canonical SMILES |
Cc1ccccc1-c1nc2ccc(cc2c(=O)n1CC1CCCN(CC(F)(F)F)C1)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C29H27ClF3N3O/c1-19-5-2-3-7-24(19)27-34-26-13-10-22(21-8-11-23(30)12-9-21)15-25(26)28(37)36(27)17-20-6-4-14-35(16-20)18-29(31,32)33/h2-3,5,7-13,15,20H,4,6,14,16-18H2,1H3
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| InChIKey |
CMAFUIOHCLZCHF-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