General Information of the Compound
Compound ID
CP0046871
Compound Name
1-methyl-2-thiazol-4-yl-1H-benzoimidazole
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Structure
Formula
C11H9N3S
Molecular Weight
215.281
Canonical SMILES
Cn1c(nc2ccccc12)-c1cscn1
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InChI
InChI=1S/C11H9N3S/c1-14-10-5-3-2-4-8(10)13-11(14)9-6-15-7-12-9/h2-7H,1H3
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InChIKey
CSAHSZPPHOXJAP-UHFFFAOYSA-N
CAS
32594-70-0
Physicochemical Property
logP
2.6968
Rotatable Bonds
1
Heavy Atom Count
15
Polar Areas
30.71
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
15

"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: 612049
SID: 16436156
ChEMBL ID
CHEMBL372564
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: PT00973, Methionine aminopeptidase 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 24300 nM
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