General Information of the Compound
Compound ID
CP0507020
Compound Name
3-benzyl-2-oxo-N-(1,2,4-thiadiazol-5-yl)-1,3-benzoxazole-6-sulfonamide
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Structure
Formula
C16H12N4O4S2
Molecular Weight
388.43
Canonical SMILES
O=c1oc2cc(ccc2n1Cc1ccccc1)S(=O)(=O)Nc1ncns1
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InChI
InChI=1S/C16H12N4O4S2/c21-16-20(9-11-4-2-1-3-5-11)13-7-6-12(8-14(13)24-16)26(22,23)19-15-17-10-18-25-15/h1-8,10H,9H2,(H,17,18,19)
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InChIKey
HMJMQGPOPAKICS-UHFFFAOYSA-N
Physicochemical Property
logP
2.2951
Rotatable Bonds
5
Heavy Atom Count
26
Polar Areas
107.09
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
8
Complexity
26

"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: 71555980
SID: 163555967
ChEMBL ID
CHEMBL4082170
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
   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)  1
1
IC50 = 486 nM
   TI
   LI
   LO
   TS