General Information of the Compound
Compound ID
CP0532342
Compound Name
5-(4-chlorophenyl)-N-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]furan-2-carboxamide
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Structure
Formula
C20H15ClN2O3
Molecular Weight
366.804
Canonical SMILES
Clc1ccc(cc1)-c1ccc(o1)C(=O)Nc1cccc(c1)C1=NCCO1
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InChI
InChI=1S/C20H15ClN2O3/c21-15-6-4-13(5-7-15)17-8-9-18(26-17)19(24)23-16-3-1-2-14(12-16)20-22-10-11-25-20/h1-9,12H,10-11H2,(H,23,24)
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InChIKey
HYGDVQUWLNEKQY-UHFFFAOYSA-N
Physicochemical Property
logP
4.6291
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
63.83
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
26

"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: 24776544
SID: 49701207
ChEMBL ID
CHEMBL250698
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 = 2500 nM
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