General Information of the Compound
Compound ID
CP0577475
Compound Name
1-benzyl-5-ethyl-N-(2-morpholin-4-ylethyl)benzimidazol-2-amine
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Structure
Formula
C22H28N4O
Molecular Weight
364.493
Canonical SMILES
CCc1ccc2n(Cc3ccccc3)c(NCCN3CCOCC3)nc2c1
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InChI
InChI=1S/C22H28N4O/c1-2-18-8-9-21-20(16-18)24-22(23-10-11-25-12-14-27-15-13-25)26(21)17-19-6-4-3-5-7-19/h3-9,16H,2,10-15,17H2,1H3,(H,23,24)
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InChIKey
FNAJCXJDFXWREI-UHFFFAOYSA-N
Physicochemical Property
logP
3.3911
Rotatable Bonds
7
Heavy Atom Count
27
Polar Areas
42.32
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
27

"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: 168277238
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 = 2640 nM
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