General Information of the Compound
| Compound ID |
CP0009545
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-{1-[1-(4-Cyclohexyl-phenyl)-ethyl]-piperidin-4-yl}-1,3-dihydro-indol-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H34N2O
|
||||||||||||||||||
| Molecular Weight |
402.582
|
||||||||||||||||||
| Canonical SMILES |
CC(N1CCC(CC1)N1C(=O)Cc2ccccc12)c1ccc(cc1)C1CCCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H34N2O/c1-20(21-11-13-23(14-12-21)22-7-3-2-4-8-22)28-17-15-25(16-18-28)29-26-10-6-5-9-24(26)19-27(29)30/h5-6,9-14,20,22,25H,2-4,7-8,15-19H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
KVNPCTLYRRUZDP-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: PT00983, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor
Protein ID: PT01360, Nociceptin receptor