General Information of the Compound
Compound ID
CP0960482
Compound Name
(Z)-3-isopropyl-5-((5-((7-methyl-1H-benzo[d]imidazol-2-yl)thio)furan-2-yl)methylene)thiazolidine-2,4-dione
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Structure
Formula
C19H17N3O3S2
Molecular Weight
399.497
Canonical SMILES
Cc1cccc2nc(Sc3ccc(/C=C4\SC(=O)N(C(C)C)C4=O)o3)[nH]c12
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InChI
InChI=1S/C19H17N3O3S2/c1-10(2)22-17(23)14(26-19(22)24)9-12-7-8-15(25-12)27-18-20-13-6-4-5-11(3)16(13)21-18/h4-10H,1-3H3,(H,20,21)/b14-9-
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InChIKey
HVSXTBCAARDOIU-ZROIWOOFSA-N
Physicochemical Property
logP
5.06022
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
79.2
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
27

"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: 121395592
ChEMBL ID
CHEMBL4473046
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: PT04664, Myc proto-oncogene protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
IC50 = 1500 nM
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