General Information of the Compound
| Compound ID |
CP0528928
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-[4-(benzimidazol-1-yl)piperidin-1-yl]-2-(3,4-dichlorophenyl)butyl]-N-methylbenzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H32Cl2N4O
|
||||||||||||||||||
| Molecular Weight |
535.519
|
||||||||||||||||||
| Canonical SMILES |
CN(CC(CCN1CCC(CC1)n1cnc2ccccc12)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H32Cl2N4O/c1-34(30(37)22-7-3-2-4-8-22)20-24(23-11-12-26(31)27(32)19-23)13-16-35-17-14-25(15-18-35)36-21-33-28-9-5-6-10-29(28)36/h2-12,19,21,24-25H,13-18,20H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
UZKOIIVAUWWAMY-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