General Information of the Compound
| Compound ID |
CP0451691
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-(4-chlorophenyl)-3-{[1-(2-fluoroethyl)piperidin-3-yl]methyl}-2-(2-methylphenyl)quinazolin-4(3H)-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H29ClFN3O
|
||||||||||||||||||
| Molecular Weight |
490.022
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccccc1-c1nc2ccc(cc2c(=O)n1CC1CCCN(CCF)C1)-c1ccc(Cl)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H29ClFN3O/c1-20-5-2-3-7-25(20)28-32-27-13-10-23(22-8-11-24(30)12-9-22)17-26(27)29(35)34(28)19-21-6-4-15-33(18-21)16-14-31/h2-3,5,7-13,17,21H,4,6,14-16,18-19H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZBNUMBIWAMLVIU-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