General Information of the Compound
| Compound ID |
CP0500541
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-((S)-2-amino-3-oxo-3-((S)-2-(4-phenyl-1H-imidazol-2-yl)piperidin-1-yl)propyl)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H27N5O2
|
||||||||||||||||||
| Molecular Weight |
417.513
|
||||||||||||||||||
| Canonical SMILES |
N[C@@H](Cc1ccc(cc1)C(N)=O)C(=O)N1CCCC[C@H]1c1nc(c[nH]1)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H27N5O2/c25-19(14-16-9-11-18(12-10-16)22(26)30)24(31)29-13-5-4-8-21(29)23-27-15-20(28-23)17-6-2-1-3-7-17/h1-3,6-7,9-12,15,19,21H,4-5,8,13-14,25H2,(H2,26,30)(H,27,28)/t19-,21-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YALMCURVZITNRZ-FPOVZHCZSA-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: PT01791, Delta-type opioid receptor
Protein ID: PT01352, Mu-type opioid receptor