General Information of the Compound
| Compound ID |
CP0485463
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[3-[(7-chloroquinolin-4-yl)amino]-5-[[2-(dimethylamino)ethylamino]methyl]phenyl]-2-piperidin-1-ylacetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H35ClN6O
|
||||||||||||||||||
| Molecular Weight |
495.071
|
||||||||||||||||||
| Canonical SMILES |
CN(C)CCNCc1cc(NC(=O)CN2CCCCC2)cc(Nc2ccnc3cc(Cl)ccc23)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H35ClN6O/c1-33(2)13-10-29-18-20-14-22(31-25-8-9-30-26-16-21(28)6-7-24(25)26)17-23(15-20)32-27(35)19-34-11-4-3-5-12-34/h6-9,14-17,29H,3-5,10-13,18-19H2,1-2H3,(H,30,31)(H,32,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ABGNTYKAEGHSCJ-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