General Information of the Compound
| Compound ID |
CP0455155
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL4519453
Show/Hide
|
||||||||||||||||||
| Formula |
C27H42N4O
|
||||||||||||||||||
| Molecular Weight |
438.66
|
||||||||||||||||||
| Canonical SMILES |
CCNCC(=O)NCc1cn(C2CCN(CC2)[C@@H]2CC[C@@H](CC2)C(C)C)c2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H42N4O/c1-4-28-18-27(32)29-17-22-19-31(26-8-6-5-7-25(22)26)24-13-15-30(16-14-24)23-11-9-21(10-12-23)20(2)3/h5-8,19-21,23-24,28H,4,9-18H2,1-3H3,(H,29,32)/t21-,23+
Show/Hide
|
||||||||||||||||||
| InChIKey |
ADBGQUWNDQPXSG-DKXQDJALSA-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 | |||||||||||||||||||
| 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
Protein ID: PT01360, Nociceptin receptor