General Information of the Compound
Compound ID
CP0966770
Compound Name
1-(5-((1H-benzo[d]imidazol-2-yl)thio)furan-2-yl)-N,N-dimethylmethanamine
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Structure
Formula
C14H15N3OS
Molecular Weight
273.361
Canonical SMILES
CN(C)Cc1ccc(Sc2nc3ccccc3[nH]2)o1
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InChI
InChI=1S/C14H15N3OS/c1-17(2)9-10-7-8-13(18-10)19-14-15-11-5-3-4-6-12(11)16-14/h3-8H,9H2,1-2H3,(H,15,16)
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InChIKey
ROSMNKSHLOCPPZ-UHFFFAOYSA-N
Physicochemical Property
logP
3.3687
Rotatable Bonds
4
Heavy Atom Count
19
Polar Areas
45.06
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
19

"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: 121395617
ChEMBL ID
CHEMBL4587371
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 = 59370 nM
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