General Information of the Compound
Compound ID
CP0489310
Compound Name
5-(4-chlorophenyl)-N-(1-methyl-2,3-dihydroindol-6-yl)furan-2-carboxamide
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Structure
Formula
C20H17ClN2O2
Molecular Weight
352.821
Canonical SMILES
CN1CCc2ccc(NC(=O)c3ccc(o3)-c3ccc(Cl)cc3)cc12
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InChI
InChI=1S/C20H17ClN2O2/c1-23-11-10-13-4-7-16(12-17(13)23)22-20(24)19-9-8-18(25-19)14-2-5-15(21)6-3-14/h2-9,12H,10-11H2,1H3,(H,22,24)
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InChIKey
GHZMGTAOVOLKRX-UHFFFAOYSA-N
Physicochemical Property
logP
4.8446
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
45.48
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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: 24776660
SID: 49701326
ChEMBL ID
CHEMBL250876
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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