General Information of the Compound
| Compound ID |
CP0161260
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(2-aminophenyl)-4-(1-{[4-(ethylcarbamoyl)phenyl]methyl}piperidin-4-yl)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H32N4O2
|
||||||||||||||||||
| Molecular Weight |
456.59
|
||||||||||||||||||
| Canonical SMILES |
CCNC(=O)c1ccc(CN2CCC(CC2)c2ccc(cc2)C(=O)Nc2ccccc2N)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H32N4O2/c1-2-30-27(33)23-9-7-20(8-10-23)19-32-17-15-22(16-18-32)21-11-13-24(14-12-21)28(34)31-26-6-4-3-5-25(26)29/h3-14,22H,2,15-19,29H2,1H3,(H,30,33)(H,31,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CRPSLFMUGWFWGH-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