198739

Source:http://linkedlifedata.com/resource/chembl/compound/198739

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:198739_NSC-677545_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C7H8S2/c1-8-9-7-5-3-2-4-6-7/h2-6H,1H3
chemicalCompound:standardIn...	LMSQHVXHZCNJEP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CSSc1ccccc1
chemicalCompound:molecularF...	C7 H8 S2
chemicalCompound:moleculeId	198739
chemicalCompound:mwFreebase	156.268
chemicalCompound:alogp	2.962
chemicalCompound:hba	2
chemicalCompound:hbd	0
chemicalCompound:psa	50.6
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.81
chemicalCompound:acdLogD	2.81
chemicalCompound:fullMwt	156.268
chemicalCompound:chemblId	CHEMBL118504
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:298739
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:672214, activity:672215, activity:2663361, activity:2663362, activity:2663363, activity:2663364, activity:2663365, activity:2663366, activity:2663367