General Information of the Compound
Compound ID
CP0909640
Compound Name
(Z)-3-isopropyl-5-((5-((6-methoxy-1H-benzo[d]imidazol-2-yl)thio)furan-2-yl)methylene)thiazolidine-2,4-dione
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Structure
Formula
C19H17N3O4S2
Molecular Weight
415.496
Canonical SMILES
COc1ccc2nc(Sc3ccc(/C=C4\SC(=O)N(C(C)C)C4=O)o3)[nH]c2c1
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InChI
InChI=1S/C19H17N3O4S2/c1-10(2)22-17(23)15(27-19(22)24)9-12-5-7-16(26-12)28-18-20-13-6-4-11(25-3)8-14(13)21-18/h4-10H,1-3H3,(H,20,21)/b15-9-
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InChIKey
IOJLMGDGYYKGES-DHDCSXOGSA-N
Physicochemical Property
logP
4.7604
Rotatable Bonds
5
Heavy Atom Count
28
Polar Areas
88.43
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
28

"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: 121395600
ChEMBL ID
CHEMBL4435169
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 = 1190 nM
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