General Information of the Compound
| Compound ID |
CP0442708
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(4-Cyano-4,4-diphenyl-butyl)-4-phenyl-piperidine-4-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H29N3
|
||||||||||||||||||
| Molecular Weight |
419.572
|
||||||||||||||||||
| Canonical SMILES |
N#CC(CCCN1CCC(CC1)(C#N)c1ccccc1)(c1ccccc1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H29N3/c30-23-28(25-11-4-1-5-12-25)18-21-32(22-19-28)20-10-17-29(24-31,26-13-6-2-7-14-26)27-15-8-3-9-16-27/h1-9,11-16H,10,17-22H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
BPASRJTUFRIZSF-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