General Information of the Compound
| Compound ID |
CP0464586
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-(4-chlorophenyl)-3-{[1-(2-methoxyethyl)piperidin-3-yl]-methyl}-2-(2-methylphenyl)quinazolin-4(3H)-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H32ClN3O2
|
||||||||||||||||||
| Molecular Weight |
502.058
|
||||||||||||||||||
| Canonical SMILES |
COCCN1CCCC(Cn2c(nc3ccc(cc3c2=O)-c2ccc(Cl)cc2)-c2ccccc2C)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H32ClN3O2/c1-21-6-3-4-8-26(21)29-32-28-14-11-24(23-9-12-25(31)13-10-23)18-27(28)30(35)34(29)20-22-7-5-15-33(19-22)16-17-36-2/h3-4,6,8-14,18,22H,5,7,15-17,19-20H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
BEASFCMYLAUGDO-UHFFFAOYSA-N
|
||||||||||||||||||
| 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
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
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 |
|
|---|
Table of Molecular Bioactivities Related to the Compound