General Information of the Compound
Compound ID
CP0533655
Compound Name
1-benzyl-N-[(3-methylfuran-2-yl)methyl]benzimidazol-2-amine
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Structure
Formula
C20H19N3O
Molecular Weight
317.392
Canonical SMILES
Cc1ccoc1CNc1nc2ccccc2n1Cc1ccccc1
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InChI
InChI=1S/C20H19N3O/c1-15-11-12-24-19(15)13-21-20-22-17-9-5-6-10-18(17)23(20)14-16-7-3-2-4-8-16/h2-12H,13-14H2,1H3,(H,21,22)
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InChIKey
ABXGMDOMJQSQQC-UHFFFAOYSA-N
Physicochemical Property
logP
4.59812
Rotatable Bonds
5
Heavy Atom Count
24
Polar Areas
42.99
Hydrogen Bond Donor Count
1
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: 155549748
ChEMBL ID
CHEMBL4540486
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: PT04622, Short transient receptor potential channel 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000460 Flp-In-T-REx-293 Homo sapiens (Human)  1
1
IC50 = 6930 nM
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