52491

Source:http://linkedlifedata.com/resource/chembl/compound/52491

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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/C13H11NO2S/c1-10(13(16)11-5-7-17-9-11)8-14-6-3-2-4-12(14)15/h2-7,9H,1,8H2
chemicalCompound:standardIn...	ZNYZORVWVBVFEA-UHFFFAOYSA-N
chemicalCompound:canonicalS...	C=C(CN1C=CC=CC1=O)C(=O)c2ccsc2
chemicalCompound:molecularF...	C13 H11 N O2 S
chemicalCompound:moleculeId	52491
chemicalCompound:mwFreebase	245.297
chemicalCompound:alogp	1.525
chemicalCompound:hba	2
chemicalCompound:hbd	0
chemicalCompound:psa	65.62
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	1.2
chemicalCompound:acdLogD	1.2
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	245.297
chemicalCompound:chemblId	CHEMBL36973
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:152491
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:68280, activity:68281, activity:68282