General Information of the Compound
Compound ID
CP0051021
Compound Name
5-(4-chlorophenyl)-N-(3,5-dimethoxyphenyl)furan-2-carboxamide
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Synonyms
2-Furancarboxamide, 5-(4-chlorophenyl)-N-(3,5-dimethoxyphenyl)-
339LBH1395
5-(4-CHLOROPHENYL)-N-(3,5-DIMETHOXYPHENYL)-2-FURANCARBOXAMIDE
5-(4-chlorophenyl)-N-(3,5-dimethoxyphenyl)furan-2-carboxamide
5-4(-Chlorophenyl)-N-(3,5-dimethoxyphenyl)furan-2-carboxamide
944261-79-4
A 803467
A-803467
A803467
ABP001000
AOB2888
BCP04519
BDBM50212239
BN0738
CHEMBL250699
CTK5H6562
DTXSID90241480
EX-A083
GTPL5734
HMS3656L08
MFCD10574689
MLS006011118
MolPort-006-069-060
SCHEMBL9275137
UNII-339LBH1395
ZINC14982453
s2785
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Structure
Formula
C19H16ClNO4
Molecular Weight
357.793
Canonical SMILES
COc1cc(NC(=O)c2ccc(o2)-c2ccc(Cl)cc2)cc(OC)c1
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InChI
InChI=1S/C19H16ClNO4/c1-23-15-9-14(10-16(11-15)24-2)21-19(22)18-8-7-17(25-18)12-3-5-13(20)6-4-12/h3-11H,1-2H3,(H,21,22)
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InChIKey
VHKBTPQDHDSBSP-UHFFFAOYSA-N
Physicochemical Property
logP
4.8695
Rotatable Bonds
5
Heavy Atom Count
25
Polar Areas
60.7
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
25

"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: 16038374
SID: 24421011
ChEMBL ID
CHEMBL250699
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 > 30000 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 = 8 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 8 nM
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 = 850 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( A-803467 )
Drug Name A-803467
Indication
Pain
Investigative
Target(s)
Voltage-gated sodium channel alpha Nav1.8 (SCN10A)
Inhibitor