General Information of the Compound
Compound ID
CP0563559
Compound Name
N-(1,2-benzothiazol-5-yl)-5-chloro-1,3-thiazole-2-carboxamide
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Formula
C11H6ClN3OS2
Molecular Weight
295.776
Canonical SMILES
Clc1cnc(s1)C(=O)Nc1ccc2sncc2c1
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InChI
InChI=1S/C11H6ClN3OS2/c12-9-5-13-11(17-9)10(16)15-7-1-2-8-6(3-7)4-14-18-8/h1-5H,(H,15,16)
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InChIKey
JVTALTKEIKGCRS-UHFFFAOYSA-N
Physicochemical Property
logP
3.6585
Rotatable Bonds
2
Heavy Atom Count
18
Polar Areas
54.88
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
18

"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
CHEMBL4869125
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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