General Information of the Compound
Compound ID
CP0201658
Compound Name
5-(4-cyanophenyl)-N-(3-methylphenyl)furan-2-carboxamide
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Structure
Formula
C19H14N2O2
Molecular Weight
302.333
Canonical SMILES
Cc1cccc(NC(=O)c2ccc(o2)-c2ccc(cc2)C#N)c1
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InChI
InChI=1S/C19H14N2O2/c1-13-3-2-4-16(11-13)21-19(22)18-10-9-17(23-18)15-7-5-14(12-20)6-8-15/h2-11H,1H3,(H,21,22)
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InChIKey
WKHNOPNLWLSUBU-UHFFFAOYSA-N
Physicochemical Property
logP
4.379
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
66.03
Hydrogen Bond Donor Count
1
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: 24778289
SID: 49703053
ChEMBL ID
CHEMBL401258
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: PT00897, Potassium voltage-gated channel subfamily H member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 5800 nM
   TI
   LI
   LO
   TS
Protein ID: PT02752, Sodium channel protein type 10 subunit alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 79 nM
   TI
   LI
   LO
   TS
Protein ID: PT03008, Sodium channel protein type 10 subunit alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 480 nM
   TI
   LI
   LO
   TS