General Information of the Compound
| Compound ID |
CP0277957
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(1-(4-chlorophenylcarbamoyl)-3-(2-(trifluoromethyl)phenyl)piperidin-3-yl)propanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H22ClF3N2O3
|
||||||||||||||||||
| Molecular Weight |
454.876
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)CCC1(CCCN(C1)C(=O)Nc1ccc(Cl)cc1)c1ccccc1C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H22ClF3N2O3/c23-15-6-8-16(9-7-15)27-20(31)28-13-3-11-21(14-28,12-10-19(29)30)17-4-1-2-5-18(17)22(24,25)26/h1-2,4-9H,3,10-14H2,(H,27,31)(H,29,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WAFKWVRPHCVAGK-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