General Information of the Compound
| Compound ID |
CP0484450
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-1-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H26Cl2F3N3O4S
|
||||||||||||||||||
| Molecular Weight |
580.456
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1cccc(c1)S(=O)(=O)NC(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H26Cl2F3N3O4S/c25-21-5-4-19(15-22(21)26)36-18-8-12-31(13-9-18)17-6-10-32(11-7-17)23(33)30-37(34,35)20-3-1-2-16(14-20)24(27,28)29/h1-5,14-15,17-18H,6-13H2,(H,30,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
AQIZHUDMGJRAMJ-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: PT01206, Histamine H1 receptor