General Information of the Compound
Compound ID
CP0942645
Compound Name
5-(1H-benzo[d]imidazol-2-ylthio)-N-phenylfuran-2-carboxamide
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Structure
Formula
C18H13N3O2S
Molecular Weight
335.388
Canonical SMILES
O=C(Nc1ccccc1)c1ccc(Sc2nc3ccccc3[nH]2)o1
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InChI
InChI=1S/C18H13N3O2S/c22-17(19-12-6-2-1-3-7-12)15-10-11-16(23-15)24-18-20-13-8-4-5-9-14(13)21-18/h1-11H,(H,19,22)(H,20,21)
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InChIKey
SKYAZIXBICHPKV-UHFFFAOYSA-N
Physicochemical Property
logP
4.5594
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
70.92
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
24

"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: 121395569
ChEMBL ID
CHEMBL4566803
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 = 3320 nM
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