General Information of the Compound
| Compound ID |
CP0393143
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(3,4-dimethoxyphenyl)-N-(4-nitrophenyl)quinazolin-4-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H18N4O4
|
||||||||||||||||||
| Molecular Weight |
402.41
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1OC)-c1nc(Nc2ccc(cc2)[N+]([O-])=O)c2ccccc2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H18N4O4/c1-29-19-12-7-14(13-20(19)30-2)21-24-18-6-4-3-5-17(18)22(25-21)23-15-8-10-16(11-9-15)26(27)28/h3-13H,1-2H3,(H,23,24,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
IEQRCWORKDNNAK-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