General Information of the Compound
Compound ID
CP0511857
Compound Name
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
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Structure
Formula
C18H18N4O4S
Molecular Weight
386.433
Canonical SMILES
Cc1noc(CNC(=O)c2cccc(c2)S(=O)(=O)Nc2ccc(C)cc2)n1
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InChI
InChI=1S/C18H18N4O4S/c1-12-6-8-15(9-7-12)22-27(24,25)16-5-3-4-14(10-16)18(23)19-11-17-20-13(2)21-26-17/h3-10,22H,11H2,1-2H3,(H,19,23)
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InChIKey
VJYNZHZECWCNGU-UHFFFAOYSA-N
Physicochemical Property
logP
2.41724
Rotatable Bonds
6
Heavy Atom Count
27
Polar Areas
114.19
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
27

"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: 145956273
ChEMBL ID
CHEMBL4170197
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: PT03667, ATP-sensitive inward rectifier potassium channel 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 17000 nM
   TI
   LI
   LO
   TS
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki > 40000 nM
   TI
   LI
   LO
   TS