General Information of the Compound
| Compound ID |
CP0399638
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[2-(dimethylsulfamoyl)-4,5-dimethoxyphenyl]-N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N-methylacetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H35N3O6S
|
||||||||||||||||||
| Molecular Weight |
505.637
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(CC(=O)N(C)[C@H](CN2CC[C@H](O)C2)c2ccccc2)c(cc1OC)S(=O)(=O)N(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H35N3O6S/c1-26(2)35(31,32)24-15-23(34-5)22(33-4)13-19(24)14-25(30)27(3)21(18-9-7-6-8-10-18)17-28-12-11-20(29)16-28/h6-10,13,15,20-21,29H,11-12,14,16-17H2,1-5H3/t20-,21+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
AYXBNYKLMQACAJ-LEWJYISDSA-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
Protein ID: PT01515, Mu-type opioid receptor