General Information of the Compound
| Compound ID |
CP0852049
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(1-(4-(4-Chlorophenyl)piperidin-1-yl)-3-methyl-1-oxobutan-2-yl)-2-methylbenzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H29ClN2O2
|
||||||||||||||||||
| Molecular Weight |
412.961
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccccc1C(=O)NC(C(=O)N1CCC(c2ccc(Cl)cc2)CC1)C(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H29ClN2O2/c1-16(2)22(26-23(28)21-7-5-4-6-17(21)3)24(29)27-14-12-19(13-15-27)18-8-10-20(25)11-9-18/h4-11,16,19,22H,12-15H2,1-3H3,(H,26,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XARMZAVQMJMYJM-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