General Information of the Compound
| Compound ID |
CP0465444
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4,4-difluorocyclohexyl)-2-phenyl-N-[1-(3-pyridin-3-ylpropanoyl)piperidin-4-yl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H33F2N3O2
|
||||||||||||||||||
| Molecular Weight |
469.576
|
||||||||||||||||||
| Canonical SMILES |
FC1(F)CCC(CC1)C(C(=O)NC1CCN(CC1)C(=O)CCc1cccnc1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H33F2N3O2/c28-27(29)14-10-22(11-15-27)25(21-6-2-1-3-7-21)26(34)31-23-12-17-32(18-13-23)24(33)9-8-20-5-4-16-30-19-20/h1-7,16,19,22-23,25H,8-15,17-18H2,(H,31,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ICHRXXYYJYXFNM-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