General Information of the Compound
| Compound ID |
CP0528414
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[(dimethylamino)methyl]-4-hydroxy-4-(3-hydroxyphenyl)-N-phenylpiperidine-1-carboxamide;hydrochloride
Show/Hide
|
||||||||||||||||||
| Formula |
C21H28ClN3O3
|
||||||||||||||||||
| Molecular Weight |
405.926
|
||||||||||||||||||
| Canonical SMILES |
Cl.CN(C)CC1CN(CCC1(O)c1cccc(O)c1)C(=O)Nc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H27N3O3.ClH/c1-23(2)14-17-15-24(20(26)22-18-8-4-3-5-9-18)12-11-21(17,27)16-7-6-10-19(25)13-16;/h3-10,13,17,25,27H,11-12,14-15H2,1-2H3,(H,22,26);1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
XIIXRLYEEBMXML-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 | |||||||||||||||||||
| 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
Protein ID: PT01526, Delta-type opioid receptor
Protein ID: PT00983, Kappa-type opioid receptor
Protein ID: PT01549, Mu-type opioid receptor