General Information of the Compound
Compound ID
CP0955933
Compound Name
(Z)-5-((5-((1H-benzo[d]imidazol-2-yl)thio)furan-2-yl)methylene)imidazolidine-2,4-dione
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Structure
Formula
C15H10N4O3S
Molecular Weight
326.337
Canonical SMILES
O=C1NC(=O)/C(=C/c2ccc(Sc3nc4ccccc4[nH]3)o2)N1
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InChI
InChI=1S/C15H10N4O3S/c20-13-11(16-14(21)19-13)7-8-5-6-12(22-8)23-15-17-9-3-1-2-4-10(9)18-15/h1-7H,(H,17,18)(H2,16,19,20,21)/b11-7-
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InChIKey
GGSDBULDBNBIDT-XFFZJAGNSA-N
Physicochemical Property
logP
2.4874
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
100.02
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Complexity
23

"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: 121395603
ChEMBL ID
CHEMBL4574522
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 = 7500 nM
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