General Information of the Compound
| Compound ID |
CP0356095
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-3-(3-cyanophenyl)-2-[4-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]piperidin-1-yl]propanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H31Cl2N3O3
|
||||||||||||||||||
| Molecular Weight |
516.469
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)[C@H](Cc1cccc(c1)C#N)N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H31Cl2N3O3/c28-24-5-4-23(16-25(24)29)35-22-8-10-31(11-9-22)18-19-6-12-32(13-7-19)26(27(33)34)15-20-2-1-3-21(14-20)17-30/h1-5,14,16,19,22,26H,6-13,15,18H2,(H,33,34)/t26-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QIUVHPATBGGVRR-SANMLTNESA-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