163329

Source:http://linkedlifedata.com/resource/chembl/compound/163329

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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/C12H11N3O2S/c16-18(17)11-8-13-7-6-10(11)14-12(15-18)9-4-2-1-3-5-9/h1-8,12,14-15H
chemicalCompound:standardIn...	ATYOTTJYRMOBJX-UHFFFAOYSA-N
chemicalCompound:canonicalS...	O=S1(=O)NC(Nc2ccncc12)c3ccccc3
chemicalCompound:molecularF...	C12 H11 N3 O2 S
chemicalCompound:moleculeId	163329
chemicalCompound:mwFreebase	261.3
chemicalCompound:alogp	1
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	79.47
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	8.123
chemicalCompound:acdLogP	1.468
chemicalCompound:acdLogD	1.315
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	261.3
chemicalCompound:acdMostBpk...	6.773
chemicalCompound:chemblId	CHEMBL97870
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:263329
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:1158277, activity:1158278