General Information of the Compound
| Compound ID |
CP0917306
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(4-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)butyl)pyrimido[5,4-c]quinolin-4(3H)-one hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H27ClF3N5O
|
||||||||||||||||||
| Molecular Weight |
517.983
|
||||||||||||||||||
| Canonical SMILES |
Cl.O=c1c2cnc3ccccc3c2ncn1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H26F3N5O.ClH/c27-26(28,29)19-6-5-7-20(16-19)33-14-12-32(13-15-33)10-3-4-11-34-18-31-24-21-8-1-2-9-23(21)30-17-22(24)25(34)35;/h1-2,5-9,16-18H,3-4,10-15H2;1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
WMZAUZMTVDGLKZ-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