General Information of the Compound
| Compound ID |
CP0515132
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8846929, 87
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H38N6O
|
||||||||||||||||||
| Molecular Weight |
450.631
|
||||||||||||||||||
| Canonical SMILES |
O=c1c(nc2ncccc2n1C1CCN(CC1)C1CCCCCCC1)N1CC2CNCC2C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H38N6O/c33-26-25(31-17-19-15-27-16-20(19)18-31)29-24-23(9-6-12-28-24)32(26)22-10-13-30(14-11-22)21-7-4-2-1-3-5-8-21/h6,9,12,19-22,27H,1-5,7-8,10-11,13-18H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
RVCUOIJKDXETPG-UHFFFAOYSA-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