General Information of the Compound
| Compound ID |
CP0870110
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-{6-Chloro-2-[(E)-2-(4-chlorophenyl)ethenyl]quinazolin-4-yl}hexane-1,6-diamine dihydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H28Cl6N4
|
||||||||||||||||||
| Molecular Weight |
561.212
|
||||||||||||||||||
| Canonical SMILES |
Cl.Cl.Cl.Cl.NCCCCCCNc1nc(/C=C/c2ccc(Cl)cc2)nc2ccc(Cl)cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H24Cl2N4.4ClH/c23-17-8-5-16(6-9-17)7-12-21-27-20-11-10-18(24)15-19(20)22(28-21)26-14-4-2-1-3-13-25;;;;/h5-12,15H,1-4,13-14,25H2,(H,26,27,28);4*1H/b12-7+;;;;
Show/Hide
|
||||||||||||||||||
| InChIKey |
LJSYLZCPANREEM-BLSNBFPRSA-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