General Information of the Compound
Compound ID
CP0234231
Compound Name
4-(4-chloro-2-imidazo[1,2-a]pyridin-5-ylphenoxy)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
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Structure
Formula
C21H12ClF2N5O3S2
Molecular Weight
519.942
Canonical SMILES
Fc1cc(c(F)cc1Oc1ccc(Cl)cc1-c1cccc2nccn12)S(=O)(=O)Nc1ncns1
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InChI
InChI=1S/C21H12ClF2N5O3S2/c22-12-4-5-17(13(8-12)16-2-1-3-20-25-6-7-29(16)20)32-18-9-15(24)19(10-14(18)23)34(30,31)28-21-26-11-27-33-21/h1-11H,(H,26,27,28)
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InChIKey
WHUHEVZDIFFUGK-UHFFFAOYSA-N
Physicochemical Property
logP
5.3775
Rotatable Bonds
6
Heavy Atom Count
34
Polar Areas
98.48
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
8
Complexity
34

"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: 89544489
ChEMBL ID
CHEMBL3805265
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: PT01105, Sodium channel protein type 5 subunit alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01000, Sodium channel protein type 9 subunit alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
IC50 = 13.4 nM
   TI
   LI
   LO
   TS
2
IC50 = 17 nM
   TI
   LI
   LO
   TS