General Information of the Compound
Compound ID
CP0427627
Compound Name
2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)-4-[3-[4-(trifluoromethyl)phenyl]morpholin-2-yl]oxybenzenesulfonamide
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Structure
Formula
C19H15F5N4O4S2
Molecular Weight
522.477
Canonical SMILES
Fc1cc(c(F)cc1OC1OCCNC1c1ccc(cc1)C(F)(F)F)S(=O)(=O)Nc1ncns1
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InChI
InChI=1S/C19H15F5N4O4S2/c20-12-8-15(34(29,30)28-18-26-9-27-33-18)13(21)7-14(12)32-17-16(25-5-6-31-17)10-1-3-11(4-2-10)19(22,23)24/h1-4,7-9,16-17,25H,5-6H2,(H,26,27,28)
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InChIKey
SOKFLWCZUBZWKW-UHFFFAOYSA-N
Physicochemical Property
logP
3.7019
Rotatable Bonds
6
Heavy Atom Count
34
Polar Areas
102.44
Hydrogen Bond Donor Count
2
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: 145978291
ChEMBL ID
CHEMBL4205091
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 > 30000 nM
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