General Information of the Compound
| Compound ID |
CP0407599
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(1-((5-(4-chlorophenyl)furan-2-yl)methyl)piperidin-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H24ClF3N2O3
|
||||||||||||||||||
| Molecular Weight |
444.881
|
||||||||||||||||||
| Canonical SMILES |
OC(CNC(=O)CC1CCN(Cc2ccc(o2)-c2ccc(Cl)cc2)CC1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H24ClF3N2O3/c22-16-3-1-15(2-4-16)18-6-5-17(30-18)13-27-9-7-14(8-10-27)11-20(29)26-12-19(28)21(23,24)25/h1-6,14,19,28H,7-13H2,(H,26,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HMBWNNQNRWCNOB-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: PT01027, Melanin-concentrating hormone receptor 1
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2