General Information of the Compound
| Compound ID |
CP0527045
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]methyl]adamantan-2-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H32ClFN2
|
||||||||||||||||||
| Molecular Weight |
390.974
|
||||||||||||||||||
| Canonical SMILES |
Fc1cc(Cl)ccc1CN1CCC(CNC2C3CC4CC(C3)CC2C4)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H32ClFN2/c24-21-2-1-18(22(25)12-21)14-27-5-3-15(4-6-27)13-26-23-19-8-16-7-17(10-19)11-20(23)9-16/h1-2,12,15-17,19-20,23,26H,3-11,13-14H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
MPMCNZYROMKMFN-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