199342

Source:http://linkedlifedata.com/resource/chembl/compound/199342

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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:199342_NSC-995_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C14H14O2S2/c1-15-11-3-7-13(8-4-11)17-18-14-9-5-12(16-2)6-10-14/h3-10H,1-2H3
chemicalCompound:standardIn...	PZQGLCGLPMWYBT-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccc(SSc2ccc(OC)cc2)cc1
chemicalCompound:molecularF...	C14 H14 O2 S2
chemicalCompound:moleculeId	199342
chemicalCompound:mwFreebase	278.39
chemicalCompound:alogp	4.506
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	69.06
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.708
chemicalCompound:acdLogD	4.708
chemicalCompound:fullMwt	278.39
chemicalCompound:chemblId	CHEMBL331428
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:299342
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:709520, activity:709521