General Information of the Compound
| Compound ID |
CP0192157
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-2-[4-[[4-(4-chloro-3-methylphenoxy)piperidin-1-yl]methyl]piperidin-1-yl]-3-(4-fluorophenyl)-2-methylpropanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H36ClFN2O3
|
||||||||||||||||||
| Molecular Weight |
503.058
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(OC2CCN(CC3CCN(CC3)[C@@](C)(Cc3ccc(F)cc3)C(O)=O)CC2)ccc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H36ClFN2O3/c1-20-17-25(7-8-26(20)29)35-24-11-13-31(14-12-24)19-22-9-15-32(16-10-22)28(2,27(33)34)18-21-3-5-23(30)6-4-21/h3-8,17,22,24H,9-16,18-19H2,1-2H3,(H,33,34)/t28-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
LEHDCEDFGAFVGX-NDEPHWFRSA-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