General Information of the Compound
| Compound ID |
CP0379918
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[4-(2,5-dichlorophenoxy)-2-methylsulfanylpyrimidin-5-yl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H18Cl2N4O2S
|
||||||||||||||||||
| Molecular Weight |
461.374
|
||||||||||||||||||
| Canonical SMILES |
CSc1ncc(C(=O)N2CCN(C)c3ccccc23)c(Oc2cc(Cl)ccc2Cl)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H18Cl2N4O2S/c1-26-9-10-27(17-6-4-3-5-16(17)26)20(28)14-12-24-21(30-2)25-19(14)29-18-11-13(22)7-8-15(18)23/h3-8,11-12H,9-10H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
HDMGZJRNBQZUIZ-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