General Information of the Compound
Compound ID
CP0503278
Compound Name
(1H-Benzoimidazol-2-yl)-(7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amine
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Structure
Formula
C18H19N3
Molecular Weight
277.371
Canonical SMILES
Cc1ccc2CCCC(Nc3nc4ccccc4[nH]3)c2c1
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InChI
InChI=1S/C18H19N3/c1-12-9-10-13-5-4-8-15(14(13)11-12)19-18-20-16-6-2-3-7-17(16)21-18/h2-3,6-7,9-11,15H,4-5,8H2,1H3,(H2,19,20,21)
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InChIKey
UEARXLWOYGSDGS-UHFFFAOYSA-N
Physicochemical Property
logP
4.36082
Rotatable Bonds
2
Heavy Atom Count
21
Polar Areas
40.71
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
21

"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: 25157265
SID: 57251346
ChEMBL ID
CHEMBL463987
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: PT02468, Small conductance calcium-activated potassium channel protein 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Kd = 20 nM
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   LI
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