General Information of the Compound
| Compound ID |
CP0393131
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)quinazolin-4-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H21N3O3
|
||||||||||||||||||
| Molecular Weight |
387.439
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)-c1nc(Nc2ccc(OC)c(OC)c2)c2ccccc2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H21N3O3/c1-27-17-11-8-15(9-12-17)22-25-19-7-5-4-6-18(19)23(26-22)24-16-10-13-20(28-2)21(14-16)29-3/h4-14H,1-3H3,(H,24,25,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QMFOOTIKJFKPLV-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
Protein ID: PT02516, Multidrug resistance-associated protein 1