General Information of the Compound
Compound ID
CP0960481
Compound Name
(Z)-5-((5-(1H-benzo[d]imidazol-2-yl)furan-2-yl)methylene)-3-isopropylthiazolidine-2,4-dione
    Show/Hide
Formula
C18H15N3O3S
Molecular Weight
353.403
Canonical SMILES
CC(C)N1C(=O)S/C(=C\c2ccc(-c3nc4ccccc4[nH]3)o2)C1=O
    Show/Hide
InChI
InChI=1S/C18H15N3O3S/c1-10(2)21-17(22)15(25-18(21)23)9-11-7-8-14(24-11)16-19-12-5-3-4-6-13(12)20-16/h3-10H,1-2H3,(H,19,20)/b15-9-
    Show/Hide
InChIKey
ZRKIAZWZDGXLOI-DHDCSXOGSA-N
Physicochemical Property
logP
4.2676
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
79.2
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
25

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
ChEMBL ID
CHEMBL4460085
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 > 40000 nM
   TI
   LI
   LO
   TS