General Information of the Compound
| Compound ID |
CP0840926
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(4-methylpiperazin-1-yl)-N-(quinolin-7-ylmethyl)-7-(trifluoromethyl)quinolin-5-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H24F3N5
|
||||||||||||||||||
| Molecular Weight |
451.496
|
||||||||||||||||||
| Canonical SMILES |
CN1CCN(c2cnc3cc(C(F)(F)F)cc(NCc4ccc5cccnc5c4)c3c2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H24F3N5/c1-32-7-9-33(10-8-32)20-14-21-23(12-19(25(26,27)28)13-24(21)31-16-20)30-15-17-4-5-18-3-2-6-29-22(18)11-17/h2-6,11-14,16,30H,7-10,15H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
XXERFIJBIUXNLE-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