General Information of the Compound
| Compound ID |
CP0526228
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(1-adamantyl)-1-[(4-chlorophenyl)methyl]piperidin-4-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H31ClN2
|
||||||||||||||||||
| Molecular Weight |
358.957
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc(CN2CCC(CC2)NC23CC4CC(CC(C4)C2)C3)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H31ClN2/c23-20-3-1-16(2-4-20)15-25-7-5-21(6-8-25)24-22-12-17-9-18(13-22)11-19(10-17)14-22/h1-4,17-19,21,24H,5-15H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
RFQWOEYYEIRCHO-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