General Information of the Compound
| Compound ID |
CP0339161
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[[4-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]piperidin-1-yl]methyl]benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H30Cl2N2O3
|
||||||||||||||||||
| Molecular Weight |
477.432
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)c1cccc(CN2CCC(CN3CCC(CC3)Oc3ccc(Cl)c(Cl)c3)CC2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H30Cl2N2O3/c26-23-5-4-22(15-24(23)27)32-21-8-12-29(13-9-21)16-18-6-10-28(11-7-18)17-19-2-1-3-20(14-19)25(30)31/h1-5,14-15,18,21H,6-13,16-17H2,(H,30,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JVDFBAQLTSMMBQ-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: PT01215, C-C chemokine receptor type 3
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2