General Information of the Compound
| Compound ID |
CP0474281
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-ethyl-3-[1-[3-(4-fluorophenyl)sulfanylpropyl]piperidin-4-yl]-1H-indole-6-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H30FN3OS
|
||||||||||||||||||
| Molecular Weight |
439.6
|
||||||||||||||||||
| Canonical SMILES |
CCc1[nH]c2cc(ccc2c1C1CCN(CCCSc2ccc(F)cc2)CC1)C(N)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H30FN3OS/c1-2-22-24(21-9-4-18(25(27)30)16-23(21)28-22)17-10-13-29(14-11-17)12-3-15-31-20-7-5-19(26)6-8-20/h4-9,16-17,28H,2-3,10-15H2,1H3,(H2,27,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HACDQWKCIZHKJO-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: PT04322, Probable C-C chemokine receptor type 3