General Information of the Compound
| Compound ID |
CP0420848
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(4-methoxyphenyl)-2-(1H-pyrrol-2-yl)quinazolin-4-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H16N4O
|
||||||||||||||||||
| Molecular Weight |
316.364
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(Nc2nc(nc3ccccc23)-c2ccc[nH]2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H16N4O/c1-24-14-10-8-13(9-11-14)21-18-15-5-2-3-6-16(15)22-19(23-18)17-7-4-12-20-17/h2-12,20H,1H3,(H,21,22,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YJHNRAMBIDBLJQ-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: PT01546, ATP-dependent translocase ABCB1
Protein ID: PT02718, Broad substrate specificity ATP-binding cassette transporter ABCG2