General Information of the Compound
Compound ID
CP0487742
Compound Name
N-(3-benzamidophenyl)thiophene-2-carboxamide
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Structure
Formula
C18H14N2O2S
Molecular Weight
322.389
Canonical SMILES
O=C(Nc1cccc(NC(=O)c2ccccc2)c1)c1cccs1
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InChI
InChI=1S/C18H14N2O2S/c21-17(13-6-2-1-3-7-13)19-14-8-4-9-15(12-14)20-18(22)16-10-5-11-23-16/h1-12H,(H,19,21)(H,20,22)
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InChIKey
MKNLGOXDUQNBOV-UHFFFAOYSA-N
Physicochemical Property
logP
4.2527
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
58.2
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
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: 902575
ChEMBL ID
CHEMBL3182777
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: PT06019, Potassium channel subfamily K member 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 29 nM
   TI
   LI
   LO
   TS
Protein ID: PT05440, Potassium channel subfamily K member 9
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 970 nM
   TI
   LI
   LO
   TS