General Information of the Compound
Compound ID
CP0390687
Compound Name
(1H-Benzoimidazol-2-yl)-(R)-1,2,3,4-tetrahydronaphthalen-1-ylamine
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Structure
Formula
C17H17N3
Molecular Weight
263.344
Canonical SMILES
C1C[C@@H](Nc2nc3ccccc3[nH]2)c2ccccc2C1
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InChI
InChI=1S/C17H17N3/c1-2-8-13-12(6-1)7-5-11-14(13)18-17-19-15-9-3-4-10-16(15)20-17/h1-4,6,8-10,14H,5,7,11H2,(H2,18,19,20)/t14-/m1/s1
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InChIKey
XZIZUQSOFMLIIR-CQSZACIVSA-N
Physicochemical Property
logP
4.0524
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
40.71
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
20

"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: 11587013
SID: 16689472
ChEMBL ID
CHEMBL510780
DrugBank ID
DB16897
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: PT04088, 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)  3
1
EC50 = 400 nM
   TI
   LI
   LO
   TS
2
EC50 = 2200 nM
   TI
   LI
   LO
   TS
3
Kd = 100 nM
   TI
   LI
   LO
   TS
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)  2
1
Kd = 77 nM
   TI
   LI
   LO
   TS
2
Ki > 50000 nM
   TI
   LI
   LO
   TS