General Information of the Compound
| Compound ID |
CP0522964
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[3-(1-Isobutyl-piperidin-4-yl)-propyl]-2-phenoxymethyl-4-(3-piperidin-1-yl-propoxy)-1H-benzoimidazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H50N4O2
|
||||||||||||||||||
| Molecular Weight |
546.8
|
||||||||||||||||||
| Canonical SMILES |
CC(C)CN1CCC(CCCn2c(COc3ccccc3)nc3c(OCCCN4CCCCC4)cccc23)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H50N4O2/c1-28(2)26-37-23-17-29(18-24-37)12-10-22-38-31-15-9-16-32(39-25-11-21-36-19-7-4-8-20-36)34(31)35-33(38)27-40-30-13-5-3-6-14-30/h3,5-6,9,13-16,28-29H,4,7-8,10-12,17-27H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
NGEFCJZNHBRPAY-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