General Information of the Compound
| Compound ID |
CP0940711
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(4-(4-(4-chlorophenyl)piperazin-1-yl)butyl)pyrimido[5,4-c]quinolin-4(3H)-one dihydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H29Cl4N5O
|
||||||||||||||||||
| Molecular Weight |
557.353
|
||||||||||||||||||
| Canonical SMILES |
Cl.Cl.Cl.O=c1c2cnc3ccccc3c2ncn1CCCCN1CCN(c2ccc(Cl)cc2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H26ClN5O.3ClH/c26-19-7-9-20(10-8-19)30-15-13-29(14-16-30)11-3-4-12-31-18-28-24-21-5-1-2-6-23(21)27-17-22(24)25(31)32;;;/h1-2,5-10,17-18H,3-4,11-16H2;3*1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
YKQOIQBTXXZTDD-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