General Information of the Compound
Compound ID
CP0941703
Compound Name
N-(3-chloro-4-(trifluoromethoxy)benzyl)-3-fluoro-4-(N-pyridazin-3-ylsulfamoyl)benzamide
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Structure
Formula
C19H13ClF4N4O4S
Molecular Weight
504.849
Canonical SMILES
O=C(NCc1ccc(OC(F)(F)F)c(Cl)c1)c1ccc(S(=O)(=O)Nc2cccnn2)c(F)c1
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InChI
InChI=1S/C19H13ClF4N4O4S/c20-13-8-11(3-5-15(13)32-19(22,23)24)10-25-18(29)12-4-6-16(14(21)9-12)33(30,31)28-17-2-1-7-26-27-17/h1-9H,10H2,(H,25,29)(H,27,28)
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InChIKey
IGJNWNOWWMGPMT-UHFFFAOYSA-N
Physicochemical Property
logP
3.8985
Rotatable Bonds
7
Heavy Atom Count
33
Polar Areas
110.28
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
33

"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: 145993317
ChEMBL ID
CHEMBL4286278
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: PT03042, Sodium channel protein type 3 subunit alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 1793 nM
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