General Information of the Compound
| Compound ID |
CP0075224
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(1-(4-chlorophenylcarbamoyl)-3-phenylpiperidin-3-yl)butanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H25ClN2O3
|
||||||||||||||||||
| Molecular Weight |
400.906
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)CCCC1(CCCN(C1)C(=O)Nc1ccc(Cl)cc1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H25ClN2O3/c23-18-9-11-19(12-10-18)24-21(28)25-15-5-14-22(16-25,13-4-8-20(26)27)17-6-2-1-3-7-17/h1-3,6-7,9-12H,4-5,8,13-16H2,(H,24,28)(H,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YTDWKPSJWUXUKF-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