General Information of the Compound
| Compound ID |
CP0262506
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-(6-methylsulfonylpyridin-3-yl)-4-(propan-2-ylamino)quinoline-3-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H18N4O2S
|
||||||||||||||||||
| Molecular Weight |
366.446
|
||||||||||||||||||
| Canonical SMILES |
CC(C)Nc1c(cnc2cc(ccc12)-c1ccc(nc1)S(C)(=O)=O)C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H18N4O2S/c1-12(2)23-19-15(9-20)11-21-17-8-13(4-6-16(17)19)14-5-7-18(22-10-14)26(3,24)25/h4-8,10-12H,1-3H3,(H,21,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MOHGDOLUGNOSHO-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