General Information of the Compound
| Compound ID |
CP0880957
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(4-(3-chlorobenzyl)piperazin-1-yl)-N-(pyrimidin-2-yl)quinoxalin-2-amine 2,2,2-trifluoroacetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H23ClF3N7O2
|
||||||||||||||||||
| Molecular Weight |
545.953
|
||||||||||||||||||
| Canonical SMILES |
Clc1cccc(CN2CCN(c3nc4ccccc4nc3Nc3ncccn3)CC2)c1.O=C(O)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H22ClN7.C2HF3O2/c24-18-6-3-5-17(15-18)16-30-11-13-31(14-12-30)22-21(29-23-25-9-4-10-26-23)27-19-7-1-2-8-20(19)28-22;3-2(4,5)1(6)7/h1-10,15H,11-14,16H2,(H,25,26,27,29);(H,6,7)
Show/Hide
|
||||||||||||||||||
| InChIKey |
TUOVDQLKXSRKSH-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