General Information of the Compound
| Compound ID |
CP0500084
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-N-[(4-bromophenyl)methyl]-4-N-(3-chlorophenyl)quinazoline-4,6-diamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H16BrClN4
|
||||||||||||||||||
| Molecular Weight |
439.744
|
||||||||||||||||||
| Canonical SMILES |
Clc1cccc(Nc2ncnc3ccc(NCc4ccc(Br)cc4)cc23)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H16BrClN4/c22-15-6-4-14(5-7-15)12-24-17-8-9-20-19(11-17)21(26-13-25-20)27-18-3-1-2-16(23)10-18/h1-11,13,24H,12H2,(H,25,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RZNCBIIAICOMLS-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