455428

Source:http://linkedlifedata.com/resource/chembl/compound/455428

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C21H17NO2S/c1-23-16-11-12-18-20(13-16)25-21(22-18)17-9-5-6-10-19(17)24-14-15-7-3-2-4-8-15/h2-13H,14H2,1H3
chemicalCompound:standardIn...	MKIQDTJDBXKKGU-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccc2nc(sc2c1)c3ccccc3OCc4ccccc4
chemicalCompound:molecularF...	C21H17NO2S
chemicalCompound:moleculeId	455428
chemicalCompound:mwFreebase	347.43
chemicalCompound:alogp	5.389
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	59.59
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	5.434
chemicalCompound:acdLogD	5.434
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	347.43
chemicalCompound:acdMostBpk...	1.572
chemicalCompound:chemblId	CHEMBL460501
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:555428
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:2391546, activity:2391567, activity:2391621, activity:2391634, activity:2391656