General Information of the Compound
Compound ID
CP0577476
Compound Name
4-(1-benzyl-5-ethylbenzimidazol-2-yl)morpholine
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Structure
Formula
C20H23N3O
Molecular Weight
321.424
Canonical SMILES
CCc1ccc2n(Cc3ccccc3)c(nc2c1)N1CCOCC1
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InChI
InChI=1S/C20H23N3O/c1-2-16-8-9-19-18(14-16)21-20(22-10-12-24-13-11-22)23(19)15-17-6-4-3-5-7-17/h3-9,14H,2,10-13,15H2,1H3
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InChIKey
VETQKKZZEKBVDS-UHFFFAOYSA-N
Physicochemical Property
logP
3.4836
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
30.29
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
24

"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).

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PubChem ID
CID: 168274391
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
Protein ID: PT05452, Short transient receptor potential channel 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 10000 nM
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