General Information of the Compound
| Compound ID |
CP0149670
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3R)-N-[(1R)-1-naphthalen-1-ylethyl]-1-[3-(trifluoromethoxy)phenyl]piperidin-3-amine;dihydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H27Cl2F3N2O
|
||||||||||||||||||
| Molecular Weight |
487.393
|
||||||||||||||||||
| Canonical SMILES |
Cl.Cl.C[C@@H](N[C@@H]1CCCN(C1)c1cccc(OC(F)(F)F)c1)c1cccc2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H25F3N2O.2ClH/c1-17(22-13-4-8-18-7-2-3-12-23(18)22)28-19-9-6-14-29(16-19)20-10-5-11-21(15-20)30-24(25,26)27;;/h2-5,7-8,10-13,15,17,19,28H,6,9,14,16H2,1H3;2*1H/t17-,19-;;/m1../s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KOUIRXMKXKYCHY-WGMYLSDTSA-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