General Information of the Compound
| Compound ID |
CP0434186
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-N-(1-(2-amino-3-(benzo[b]thiophen-3-yl)propanoyl)piperidin-4-yl)-N-phenylpropionamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H29N3O2S
|
||||||||||||||||||
| Molecular Weight |
435.593
|
||||||||||||||||||
| Canonical SMILES |
CCC(=O)N(C1CCN(CC1)C(=O)[C@@H](N)Cc1csc2ccccc12)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H29N3O2S/c1-2-24(29)28(19-8-4-3-5-9-19)20-12-14-27(15-13-20)25(30)22(26)16-18-17-31-23-11-7-6-10-21(18)23/h3-11,17,20,22H,2,12-16,26H2,1H3/t22-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BGCRLWZEKQHZFB-QFIPXVFZSA-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: PT01549, Mu-type opioid receptor