General Information of the Compound
Compound ID
CP0576528
Compound Name
N-[(5-chlorothiadiazol-4-yl)methyl]-1,2-benzothiazol-5-amine
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Formula
C10H7ClN4S2
Molecular Weight
282.781
Canonical SMILES
Clc1snnc1CNc1ccc2sncc2c1
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InChI
InChI=1S/C10H7ClN4S2/c11-10-8(14-15-17-10)5-12-7-1-2-9-6(3-7)4-13-16-9/h1-4,12H,5H2
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InChIKey
JNQBSCAAQLKBDF-UHFFFAOYSA-N
Physicochemical Property
logP
3.4133
Rotatable Bonds
3
Heavy Atom Count
17
Polar Areas
50.7
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
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
CHEMBL4877090
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 = 5248.07 nM
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