General Information of the Compound
| Compound ID |
CP0409408
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
8-(5H-dibenzo[a,d]cyclohepten-5-yl)-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H27N3O
|
||||||||||||||||||
| Molecular Weight |
421.544
|
||||||||||||||||||
| Canonical SMILES |
O=C1NCN(c2ccccc2)C11CCN(CC1)C1c2ccccc2C=Cc2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H27N3O/c32-27-28(31(20-29-27)23-10-2-1-3-11-23)16-18-30(19-17-28)26-24-12-6-4-8-21(24)14-15-22-9-5-7-13-25(22)26/h1-15,26H,16-20H2,(H,29,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
OPXFEIJQXDAPEU-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: PT01515, Mu-type opioid receptor
Protein ID: PT01360, Nociceptin receptor