General Information of the Compound
| Compound ID |
CP0073866
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H28N4O2
|
||||||||||||||||||
| Molecular Weight |
380.492
|
||||||||||||||||||
| Canonical SMILES |
CCOc1cc(CN2CCC(CC2)Nc2nc3ccccc3[nH]2)ccc1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H28N4O2/c1-3-28-21-14-16(8-9-20(21)27-2)15-26-12-10-17(11-13-26)23-22-24-18-6-4-5-7-19(18)25-22/h4-9,14,17H,3,10-13,15H2,1-2H3,(H2,23,24,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MSZPPOFTOFRJJR-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