General Information of the Compound
Compound ID
CP0310604
Compound Name
6-[5-(4-methyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)-1H-imidazol-4-yl]-1,3-benzothiazole
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Structure
Formula
C15H9F3N4S2
Molecular Weight
366.393
Canonical SMILES
Cc1csc(n1)-c1[nH]c(nc1-c1ccc2ncsc2c1)C(F)(F)F
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InChI
InChI=1S/C15H9F3N4S2/c1-7-5-23-13(20-7)12-11(21-14(22-12)15(16,17)18)8-2-3-9-10(4-8)24-6-19-9/h2-6H,1H3,(H,21,22)
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InChIKey
UVCNMWPNXWHUCS-UHFFFAOYSA-N
Physicochemical Property
logP
5.13712
Rotatable Bonds
2
Heavy Atom Count
24
Polar Areas
54.46
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
24

"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: 136105623
ChEMBL ID
CHEMBL2207996
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 = 49 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 5.8 nM