General Information of the Compound
| Compound ID |
CP0864098
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
rac-3-(1-(3-(4-fluorophenylthio)propyl)piperidin-4-yl)-2-(1-methoxyethyl)-1H-indole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H31FN2OS
|
||||||||||||||||||
| Molecular Weight |
426.601
|
||||||||||||||||||
| Canonical SMILES |
COC(C)c1[nH]c2ccccc2c1C1CCN(CCCSc2ccc(F)cc2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H31FN2OS/c1-18(29-2)25-24(22-6-3-4-7-23(22)27-25)19-12-15-28(16-13-19)14-5-17-30-21-10-8-20(26)9-11-21/h3-4,6-11,18-19,27H,5,12-17H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
KYLUBFIZIDMYKO-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: PT05277, C-C chemokine receptor type 3
Protein ID: PT04322, Probable C-C chemokine receptor type 3