General Information of the Compound
| Compound ID |
CP0439761
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| Compound Name |
6-(4-chlorophenyl)-3-{[(3R)-1-ethylpiperidin-3-yl]methyl}-2-(2-methylphenyl)quinazolin-4(3H)-one
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| Structure |
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| Formula |
C29H30ClN3O
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| Molecular Weight |
472.032
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| Canonical SMILES |
CCN1CCC[C@@H](Cn2c(nc3ccc(cc3c2=O)-c2ccc(Cl)cc2)-c2ccccc2C)C1
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| InChI |
InChI=1S/C29H30ClN3O/c1-3-32-16-6-8-21(18-32)19-33-28(25-9-5-4-7-20(25)2)31-27-15-12-23(17-26(27)29(33)34)22-10-13-24(30)14-11-22/h4-5,7,9-15,17,21H,3,6,8,16,18-19H2,1-2H3/t21-/m1/s1
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| InChIKey |
GXCPGQHYWOEKEE-OAQYLSRUSA-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