General Information of the Compound
Compound ID
CP0946066
Compound Name
(5-((1H-benzo[d]imidazol-2-yl)thio)furan-2-yl)methanol
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Structure
Formula
C12H10N2O2S
Molecular Weight
246.291
Canonical SMILES
OCc1ccc(Sc2nc3ccccc3[nH]2)o1
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InChI
InChI=1S/C12H10N2O2S/c15-7-8-5-6-11(16-8)17-12-13-9-3-1-2-4-10(9)14-12/h1-6,15H,7H2,(H,13,14)
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InChIKey
PZHJFIJSJBMKBK-UHFFFAOYSA-N
Physicochemical Property
logP
2.7994
Rotatable Bonds
3
Heavy Atom Count
17
Polar Areas
62.05
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
17

"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: 893487
ChEMBL ID
CHEMBL4546028
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
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000157 NCI-H1975 Homo sapiens (Human)  1
1
IC50 > 50000 nM
   TI
   LI
   LO
   TS