General Information of the Compound
| Compound ID |
CP0570672
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(cyclopropylamino)-2-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]quinoxaline-6-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H22Cl2N6
|
||||||||||||||||||
| Molecular Weight |
453.377
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc(Cl)c(CN2CCN(CC2)c2nc3ccc(cc3nc2NC2CC2)C#N)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H22Cl2N6/c24-17-2-5-19(25)16(12-17)14-30-7-9-31(10-8-30)23-22(27-18-3-4-18)28-21-11-15(13-26)1-6-20(21)29-23/h1-2,5-6,11-12,18H,3-4,7-10,14H2,(H,27,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BHODCOCJSTWGOC-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 | |||||||||||||||||||
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