General Information of the Compound
| Compound ID |
CP0491123
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8846929, 42
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H37N5O2
|
||||||||||||||||||
| Molecular Weight |
451.615
|
||||||||||||||||||
| Canonical SMILES |
NC(=O)[C@@H]1CCCN1c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H37N5O2/c27-24(32)23-13-8-16-30(23)25-26(33)31(22-12-7-6-11-21(22)28-25)20-14-17-29(18-15-20)19-9-4-2-1-3-5-10-19/h6-7,11-12,19-20,23H,1-5,8-10,13-18H2,(H2,27,32)/t23-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
IXNJXEGCAHYBDJ-QHCPKHFHSA-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