198149

Source:http://linkedlifedata.com/resource/chembl/compound/198149

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:198149_NSC-74657_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C12H10O2S2/c13-16(14,12-9-5-2-6-10-12)15-11-7-3-1-4-8-11/h1-10H
chemicalCompound:standardIn...	ATKJLMWDXASAJA-UHFFFAOYSA-N
chemicalCompound:canonicalS...	O=S(=O)(Sc1ccccc1)c2ccccc2
chemicalCompound:molecularF...	C12 H10 O2 S2
chemicalCompound:moleculeId	198149
chemicalCompound:mwFreebase	250.337
chemicalCompound:alogp	3.523
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	67.81
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.144
chemicalCompound:acdLogD	3.144
chemicalCompound:fullMwt	250.337
chemicalCompound:chemblId	CHEMBL120236
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:298149
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:693379, activity:693380