General Information of the Compound
| Compound ID |
CP0191332
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-3-(4-chlorophenyl)-2-[4-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]piperidin-1-yl]propanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H31Cl3N2O3
|
||||||||||||||||||
| Molecular Weight |
525.904
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)[C@H](Cc1ccc(Cl)cc1)N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H31Cl3N2O3/c27-20-3-1-18(2-4-20)15-25(26(32)33)31-13-7-19(8-14-31)17-30-11-9-21(10-12-30)34-22-5-6-23(28)24(29)16-22/h1-6,16,19,21,25H,7-15,17H2,(H,32,33)/t25-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KCLONPRRKHVPLU-VWLOTQADSA-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