General Information of the Compound
| Compound ID |
CP0499008
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(4-{[3-(3,5-Dimethyl-1-piperidinyl)propyl]oxy}phenyl)-2-methyl-4(3H)-quinazolinone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H31N3O2
|
||||||||||||||||||
| Molecular Weight |
405.542
|
||||||||||||||||||
| Canonical SMILES |
CC1CC(C)CN(CCCOc2ccc(cc2)-n2c(C)nc3ccccc3c2=O)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H31N3O2/c1-18-15-19(2)17-27(16-18)13-6-14-30-22-11-9-21(10-12-22)28-20(3)26-24-8-5-4-7-23(24)25(28)29/h4-5,7-12,18-19H,6,13-17H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZTESOUAADVEJOU-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