General Information of the Compound
Compound ID
CP0538205
Compound Name
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1,2-benzothiazol-5-amine
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Structure
Formula
C12H11ClN4S
Molecular Weight
278.768
Canonical SMILES
Cn1c(Cl)cnc1CNc1ccc2sncc2c1
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InChI
InChI=1S/C12H11ClN4S/c1-17-11(13)6-15-12(17)7-14-9-2-3-10-8(4-9)5-16-18-10/h2-6,14H,7H2,1H3
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InChIKey
CSSDJSDSVXAGMG-UHFFFAOYSA-N
Physicochemical Property
logP
3.2953
Rotatable Bonds
3
Heavy Atom Count
18
Polar Areas
42.74
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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PubChem ID
CID: 99799573
ChEMBL ID
CHEMBL4876211
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: PT02149, Transient receptor potential cation channel subfamily A member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 > 15848.93 nM
   TI
   LI
   LO
   TS
Protein ID: PT05546, Transient receptor potential cation channel subfamily M member 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 > 63095.73 nM
   TI
   LI
   LO
   TS
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 = 331.13 nM
   TI
   LI
   LO
   TS
Protein ID: PT07642, 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 = 891.25 nM
   TI
   LI
   LO
   TS
Protein ID: PT03065, Transient receptor potential cation channel subfamily M member 8
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 > 15848.93 nM
   TI
   LI
   LO
   TS
Protein ID: PT02183, Transient receptor potential cation channel subfamily V member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 > 15848.93 nM
   TI
   LI
   LO
   TS
Protein ID: PT03081, Transient receptor potential cation channel subfamily V member 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 > 15848.93 nM
   TI
   LI
   LO
   TS