General Information of the Compound
| Compound ID |
CP0524500
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8637502, 9
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H31N3O2
|
||||||||||||||||||
| Molecular Weight |
369.509
|
||||||||||||||||||
| Canonical SMILES |
CC(C)C1CCC(CC1)N1CCC(CC1)n1c2ccccc2[nH]c(=O)c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H31N3O2/c1-15(2)16-7-9-17(10-8-16)24-13-11-18(12-14-24)25-20-6-4-3-5-19(20)23-21(26)22(25)27/h3-6,15-18H,7-14H2,1-2H3,(H,23,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GBRKRVVJROXVMX-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
Protein ID: PT01360, Nociceptin receptor