General Information of the Compound
| Compound ID |
CP0441924
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8846929, 60
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H39N5O2
|
||||||||||||||||||
| Molecular Weight |
465.642
|
||||||||||||||||||
| Canonical SMILES |
NC(=O)C1CCCN(C1)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H39N5O2/c28-25(33)20-9-8-16-31(19-20)26-27(34)32(24-13-7-6-12-23(24)29-26)22-14-17-30(18-15-22)21-10-4-2-1-3-5-11-21/h6-7,12-13,20-22H,1-5,8-11,14-19H2,(H2,28,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KEBVEFMIGDGQKK-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