General Information of the Compound
| Compound ID |
CP0379706
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanamido)-N-((S)-1-oxo-3-phenyl-1-(4-(N-phenylpropionamido)piperidin-1-yl)propan-2-yl)hexanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C40H53N5O5
|
||||||||||||||||||
| Molecular Weight |
683.894
|
||||||||||||||||||
| Canonical SMILES |
CCCC[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)N(C(=O)CC)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C40H53N5O5/c1-5-7-18-35(42-38(48)34(41)26-33-27(3)23-32(46)24-28(33)4)39(49)43-36(25-29-14-10-8-11-15-29)40(50)44-21-19-31(20-22-44)45(37(47)6-2)30-16-12-9-13-17-30/h8-17,23-24,31,34-36,46H,5-7,18-22,25-26,41H2,1-4H3,(H,42,48)(H,43,49)/t34-,35+,36-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DFQPGELUWSIWCI-PDHQKIGBSA-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