General Information of the Compound
| Compound ID |
CP0291585
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(Cyclopropylmethyl-methyl-amino)-3-(3-hydroxy-phenyl)-2,2-dimethyl-N-phenethyl-propionamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H32N2O2
|
||||||||||||||||||
| Molecular Weight |
380.532
|
||||||||||||||||||
| Canonical SMILES |
CN(CC1CC1)C(c1cccc(O)c1)C(C)(C)C(=O)NCCc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H32N2O2/c1-24(2,23(28)25-15-14-18-8-5-4-6-9-18)22(26(3)17-19-12-13-19)20-10-7-11-21(27)16-20/h4-11,16,19,22,27H,12-15,17H2,1-3H3,(H,25,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
TXHVBWLEQSUJHP-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
Protein ID: PT01200, Delta-type opioid receptor
Protein ID: PT00983, Kappa-type opioid receptor