General Information of the Compound
| Compound ID |
CP0539752
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[2-(2,5-dichlorophenoxy)pyridin-3-yl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H17Cl2N3O2
|
||||||||||||||||||
| Molecular Weight |
414.292
|
||||||||||||||||||
| Canonical SMILES |
CN1CCN(C(=O)c2cccnc2Oc2cc(Cl)ccc2Cl)c2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H17Cl2N3O2/c1-25-11-12-26(18-7-3-2-6-17(18)25)21(27)15-5-4-10-24-20(15)28-19-13-14(22)8-9-16(19)23/h2-10,13H,11-12H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
YDITUEFFFVJKOC-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