General Information of the Compound
| Compound ID |
CP0213034
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| Compound Name |
6-(4-chlorophenyl)-2-isopropyl-3-{[(3S)-1-isopropylpiperidin-3-yl]methyl}quinazolin-4(3H)-one
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| Structure |
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| Formula |
C26H32ClN3O
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| Molecular Weight |
438.015
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| Canonical SMILES |
CC(C)N1CCC[C@H](Cn2c(nc3ccc(cc3c2=O)-c2ccc(Cl)cc2)C(C)C)C1
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| InChI |
InChI=1S/C26H32ClN3O/c1-17(2)25-28-24-12-9-21(20-7-10-22(27)11-8-20)14-23(24)26(31)30(25)16-19-6-5-13-29(15-19)18(3)4/h7-12,14,17-19H,5-6,13,15-16H2,1-4H3/t19-/m0/s1
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| InChIKey |
CUZLQNOAHBUAIU-IBGZPJMESA-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