General Information of the Compound
Compound ID
CP0519184
Compound Name
(1H-Benzoimidazol-2-yl)(7-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)amine
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Structure
Formula
C23H21N3
Molecular Weight
339.442
Canonical SMILES
C1CC(Nc2nc3ccccc3[nH]2)c2cc(ccc2C1)-c1ccccc1
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InChI
InChI=1S/C23H21N3/c1-2-7-16(8-3-1)18-14-13-17-9-6-12-20(19(17)15-18)24-23-25-21-10-4-5-11-22(21)26-23/h1-5,7-8,10-11,13-15,20H,6,9,12H2,(H2,24,25,26)
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InChIKey
MJSHLQQAWDKNCC-UHFFFAOYSA-N
Physicochemical Property
logP
5.7194
Rotatable Bonds
3
Heavy Atom Count
26
Polar Areas
40.71
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
26

"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: 25157557
SID: 57251644
ChEMBL ID
CHEMBL519876
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 = 600 nM
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