General Information of the Compound
| Compound ID |
CP0465215
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(bis(2-chlorophenyl)methyl)-4-(2-((4-(isopropylsulfonyl)piperazin-1-yl)methyl)phenyl)piperidin-4-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H39Cl2N3O3S
|
||||||||||||||||||
| Molecular Weight |
616.655
|
||||||||||||||||||
| Canonical SMILES |
CC(C)S(=O)(=O)N1CCN(Cc2ccccc2C2(O)CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H39Cl2N3O3S/c1-24(2)41(39,40)37-21-19-35(20-22-37)23-25-9-3-6-12-28(25)32(38)15-17-36(18-16-32)31(26-10-4-7-13-29(26)33)27-11-5-8-14-30(27)34/h3-14,24,31,38H,15-23H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
VVKGDYNXTFLKQR-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