General Information of the Compound
| Compound ID |
CP0518995
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[(6-nitro-2-phenylquinazolin-4-yl)amino]benzene-1,2-diol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H14N4O4
|
||||||||||||||||||
| Molecular Weight |
374.356
|
||||||||||||||||||
| Canonical SMILES |
Oc1ccc(Nc2nc(nc3ccc(cc23)[N+]([O-])=O)-c2ccccc2)cc1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H14N4O4/c25-17-9-6-13(10-18(17)26)21-20-15-11-14(24(27)28)7-8-16(15)22-19(23-20)12-4-2-1-3-5-12/h1-11,25-26H,(H,21,22,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZRIMLBBZTYJMSX-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