General Information of the Compound
Compound ID
CP0454089
Compound Name
N-(3-methylphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
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Structure
Formula
C19H14F3NO2
Molecular Weight
345.32
Canonical SMILES
Cc1cccc(NC(=O)c2ccc(o2)-c2cccc(c2)C(F)(F)F)c1
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InChI
InChI=1S/C19H14F3NO2/c1-12-4-2-7-15(10-12)23-18(24)17-9-8-16(25-17)13-5-3-6-14(11-13)19(20,21)22/h2-11H,1H3,(H,23,24)
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InChIKey
SXOULJFZLXEMCT-UHFFFAOYSA-N
Physicochemical Property
logP
5.52612
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
42.24
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
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: 4496644
SID: 49703057
ChEMBL ID
CHEMBL254383
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 = 7500 nM
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