General Information of the Compound
| Compound ID |
CP0499832
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-(4-chlorophenyl)ethyl]-2-(8-methoxy-4-oxoquinazolin-3-yl)acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H18ClN3O3
|
||||||||||||||||||
| Molecular Weight |
371.824
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc2c1ncn(CC(=O)NCCc1ccc(Cl)cc1)c2=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H18ClN3O3/c1-26-16-4-2-3-15-18(16)22-12-23(19(15)25)11-17(24)21-10-9-13-5-7-14(20)8-6-13/h2-8,12H,9-11H2,1H3,(H,21,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
IIPLYINRVFDEAS-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
Protein ID: PT02149, Transient receptor potential cation channel subfamily A member 1
Protein ID: PT02148, Transient receptor potential cation channel subfamily A member 1