General Information of the Compound
| Compound ID |
CP0486443
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)amino]benzonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H16N4O
|
||||||||||||||||||
| Molecular Weight |
292.342
|
||||||||||||||||||
| Canonical SMILES |
CC1(C)CC(=O)c2cnc(Nc3ccc(cc3)C#N)nc2C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H16N4O/c1-17(2)7-14-13(15(22)8-17)10-19-16(21-14)20-12-5-3-11(9-18)4-6-12/h3-6,10H,7-8H2,1-2H3,(H,19,20,21)
Show/Hide
|
||||||||||||||||||
| InChIKey |
AVNBTTBHBVNICL-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