699828

Source:http://linkedlifedata.com/resource/chembl/compound/699828

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C11H10N2O4S2/c1-19(16,17)9-6-12-11(18-9)13-10(15)7-4-2-3-5-8(7)14/h2-6,14H,1H3,(H,12,13,15)
chemicalCompound:standardIn...	XDKWNPSBVXDDSL-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CS(=O)(=O)c1cnc(NC(=O)c2ccccc2O)s1
chemicalCompound:molecularF...	C11H10N2O4S2
chemicalCompound:moleculeId	699828
chemicalCompound:mwFreebase	298.338
chemicalCompound:alogp	1.02
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	132.97
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	6.811
chemicalCompound:acdLogP	1.953
chemicalCompound:acdLogD	1.121
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	298.338
chemicalCompound:chemblId	CHEMBL1240618
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:799828
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:activity	activity:3454907, activity:3454947, activity:3455006, activity:6273183, activity:6273201, activity:6273213, activity:6273222