General Information of the Compound
Compound ID
CP0968352
Compound Name
(Z)-3-isopropyl-5-((5-(1-methyl-1H-benzo[d]imidazol-2-ylthio)furan-2-yl)methylene)thiazolidine-2,4-dione
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Structure
Formula
C19H17N3O3S2
Molecular Weight
399.497
Canonical SMILES
CC(C)N1C(=O)S/C(=C\c2ccc(Sc3nc4ccccc4n3C)o2)C1=O
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InChI
InChI=1S/C19H17N3O3S2/c1-11(2)22-17(23)15(26-19(22)24)10-12-8-9-16(25-12)27-18-20-13-6-4-5-7-14(13)21(18)3/h4-11H,1-3H3/b15-10-
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InChIKey
DMXYORIUGOGMCG-GDNBJRDFSA-N
Physicochemical Property
logP
4.7622
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
68.34
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
7
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: 121395560
ChEMBL ID
CHEMBL4574806
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 = 1670 nM
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