General Information of the Compound
Compound ID
CP0576549
Compound Name
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-6-fluoro-1,2-benzothiazol-5-amine
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Formula
C11H7ClFN3S2
Molecular Weight
299.783
Canonical SMILES
Fc1cc2sncc2cc1NCc1ncc(Cl)s1
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InChI
InChI=1S/C11H7ClFN3S2/c12-10-4-15-11(17-10)5-14-8-1-6-3-16-18-9(6)2-7(8)13/h1-4,14H,5H2
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InChIKey
SVOSNWMXNQHRIB-UHFFFAOYSA-N
Physicochemical Property
logP
4.1574
Rotatable Bonds
3
Heavy Atom Count
18
Polar Areas
37.81
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
CHEMBL4873593
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 = 97.72 nM
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