General Information of the Compound
| Compound ID |
CP0388008
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(3-nitrophenyl)quinazolin-4-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C14H10N4O2
|
||||||||||||||||||
| Molecular Weight |
266.26
|
||||||||||||||||||
| Canonical SMILES |
[O-][N+](=O)c1cccc(Nc2ncnc3ccccc23)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H10N4O2/c19-18(20)11-5-3-4-10(8-11)17-14-12-6-1-2-7-13(12)15-9-16-14/h1-9H,(H,15,16,17)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XJOHOCFXDMKHIX-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