General Information of the Compound
| Compound ID |
CP0421764
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
8-[bis(2-chlorophenyl)methyl]-3-[2-(cyclopentylamino)ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H38Cl2N4O
|
||||||||||||||||||
| Molecular Weight |
577.6
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccccc1C(N1CCC2(CC1)N(CN(CCNC1CCCC1)C2=O)c1ccccc1)c1ccccc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H38Cl2N4O/c34-29-16-8-6-14-27(29)31(28-15-7-9-17-30(28)35)37-21-18-33(19-22-37)32(40)38(23-20-36-25-10-4-5-11-25)24-39(33)26-12-2-1-3-13-26/h1-3,6-9,12-17,25,31,36H,4-5,10-11,18-24H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
SBLIYIIALWZVLS-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