General Information of the Compound
Compound ID
CP0467198
Compound Name
5-(4-chlorophenyl)-N-[2-(2-chlorophenyl)ethyl]furan-2-carboxamide
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Structure
Formula
C19H15Cl2NO2
Molecular Weight
360.24
Canonical SMILES
Clc1ccc(cc1)-c1ccc(o1)C(=O)NCCc1ccccc1Cl
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InChI
InChI=1S/C19H15Cl2NO2/c20-15-7-5-14(6-8-15)17-9-10-18(24-17)19(23)22-12-11-13-3-1-2-4-16(13)21/h1-10H,11-12H2,(H,22,23)
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InChIKey
QESGWRHFHOIOFV-UHFFFAOYSA-N
Physicochemical Property
logP
5.2259
Rotatable Bonds
5
Heavy Atom Count
24
Polar Areas
42.24
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
24

"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: 24776541
SID: 49701204
ChEMBL ID
CHEMBL253560
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: 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 = 1900 nM
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