General Information of the Compound
Compound ID
CP0529688
Compound Name
5-(4-chlorophenyl)-N-(3-morpholin-4-ylphenyl)furan-2-carboxamide
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Structure
Formula
C21H19ClN2O3
Molecular Weight
382.847
Canonical SMILES
Clc1ccc(cc1)-c1ccc(o1)C(=O)Nc1cccc(c1)N1CCOCC1
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InChI
InChI=1S/C21H19ClN2O3/c22-16-6-4-15(5-7-16)19-8-9-20(27-19)21(25)23-17-2-1-3-18(14-17)24-10-12-26-13-11-24/h1-9,14H,10-13H2,(H,23,25)
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InChIKey
SQIWGOKGJIVYID-UHFFFAOYSA-N
Physicochemical Property
logP
4.6889
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
54.71
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
27

"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: 24776543
SID: 49701206
ChEMBL ID
CHEMBL400328
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 = 4600 nM
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