General Information of the Compound
Compound ID
CP0569687
Compound Name
N-[(5-chloro-1H-imidazol-2-yl)methyl]-1,2-benzothiazol-5-amine
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Formula
C11H9ClN4S
Molecular Weight
264.741
Canonical SMILES
Clc1cnc(CNc2ccc3sncc3c2)[nH]1
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InChI
InChI=1S/C11H9ClN4S/c12-10-5-14-11(16-10)6-13-8-1-2-9-7(3-8)4-15-17-9/h1-5,13H,6H2,(H,14,16)
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InChIKey
LIHHFRDXZRWFBX-UHFFFAOYSA-N
Physicochemical Property
logP
3.2849
Rotatable Bonds
3
Heavy Atom Count
17
Polar Areas
53.6
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
17

"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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ChEMBL ID
CHEMBL4847928
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: PT06248, Transient receptor potential cation channel subfamily M member 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
EC50 > 31622.78 nM
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