General Information of the Compound
| Compound ID |
CP0941354
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-{2-[(E)-2-(4-Chlorophenyl)ethenyl]quinazolin-4-yl}hexane-1,6-diamine dihydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H28Cl4N4
|
||||||||||||||||||
| Molecular Weight |
490.306
|
||||||||||||||||||
| Canonical SMILES |
Cl.Cl.Cl.NCCCCCCNc1nc(/C=C/c2ccc(Cl)cc2)nc2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H25ClN4.3ClH/c23-18-12-9-17(10-13-18)11-14-21-26-20-8-4-3-7-19(20)22(27-21)25-16-6-2-1-5-15-24;;;/h3-4,7-14H,1-2,5-6,15-16,24H2,(H,25,26,27);3*1H/b14-11+;;;
Show/Hide
|
||||||||||||||||||
| InChIKey |
WYRMURMGXPBULV-UWCBQFGESA-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