General Information of the Compound
| Compound ID |
CP0856450
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-2-acetamido-6-amino-N-((S)-1-(2-amino-2-oxoethylamino)-1-oxo-3-phenylpropan-2-yl)hexanamide 2,2,2-trifluoroacetate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H30F3N5O6
|
||||||||||||||||||
| Molecular Weight |
505.494
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)N[C@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O.O=C(O)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H29N5O4.C2HF3O2/c1-13(25)23-15(9-5-6-10-20)19(28)24-16(18(27)22-12-17(21)26)11-14-7-3-2-4-8-14;3-2(4,5)1(6)7/h2-4,7-8,15-16H,5-6,9-12,20H2,1H3,(H2,21,26)(H,22,27)(H,23,25)(H,24,28);(H,6,7)/t15-,16+;/m1./s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PKJJCHZRJKATSA-RCPFAERMSA-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