General Information of the Compound
| Compound ID |
CP0506587
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-N-(4-methylphenyl)-4-N-phenylquinazoline-2,4-diamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H18N4
|
||||||||||||||||||
| Molecular Weight |
326.403
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H18N4/c1-15-11-13-17(14-12-15)23-21-24-19-10-6-5-9-18(19)20(25-21)22-16-7-3-2-4-8-16/h2-14H,1H3,(H2,22,23,24,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NWPLLWWBPPYCDY-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