General Information of the Compound
| Compound ID |
CP0478808
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
8,8-dimethyl-2-(3-methylanilino)-6,7-dihydroquinazolin-5-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H19N3O
|
||||||||||||||||||
| Molecular Weight |
281.359
|
||||||||||||||||||
| Canonical SMILES |
Cc1cccc(Nc2ncc3C(=O)CCC(C)(C)c3n2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H19N3O/c1-11-5-4-6-12(9-11)19-16-18-10-13-14(21)7-8-17(2,3)15(13)20-16/h4-6,9-10H,7-8H2,1-3H3,(H,18,19,20)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LKNXEXHWNWMONZ-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