General Information of the Compound
| Compound ID |
CP0412005
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-[(3R,5R)-5-methyl-1-[2-(1-methylpiperidin-4-yl)acetyl]piperidin-3-yl]quinoline-8-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H30N4O
|
||||||||||||||||||
| Molecular Weight |
390.531
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H]1C[C@@H](CN(C1)C(=O)CC1CCN(C)CC1)c1ccc(C#N)c2ncccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H30N4O/c1-17-12-20(21-6-5-19(14-25)24-22(21)4-3-9-26-24)16-28(15-17)23(29)13-18-7-10-27(2)11-8-18/h3-6,9,17-18,20H,7-8,10-13,15-16H2,1-2H3/t17-,20+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
OKNNTJHVOZXDSK-XLIONFOSSA-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