General Information of the Compound
Compound ID
CP0302541
Compound Name
6-[5-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-4-yl]-1,3-benzothiazole
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Structure
Formula
C14H10N4S2
Molecular Weight
298.396
Canonical SMILES
Cc1csc(n1)-c1[nH]cnc1-c1ccc2ncsc2c1
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InChI
InChI=1S/C14H10N4S2/c1-8-5-19-14(18-8)13-12(15-6-16-13)9-2-3-10-11(4-9)20-7-17-10/h2-7H,1H3,(H,15,16)
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InChIKey
LLFCXRYULHMNCG-UHFFFAOYSA-N
Physicochemical Property
logP
4.11832
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
54.46
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
20

"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: 136105618
ChEMBL ID
CHEMBL2207988
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: PT01221, TGF-beta receptor type-1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000068 A-549 Homo sapiens (Human)  1
1
IC50 = 8.7 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 2.7 nM