833215

Source:http://linkedlifedata.com/resource/chembl/compound/833215

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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/C12H13FN2OS/c1-9(16)15(12-14-7-4-8-17-12)11-6-3-2-5-10(11)13/h2-3,5-6H,4,7-8H2,1H3
chemicalCompound:standardIn...	QZOHBAHXECNCLB-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(=O)N(C1=NCCCS1)c2ccccc2F
chemicalCompound:molecularF...	C12H13FN2OS
chemicalCompound:moleculeId	833215
chemicalCompound:mwFreebase	252.308
chemicalCompound:alogp	2.488
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	57.97
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.522
chemicalCompound:acdLogD	2.522
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	252.308
chemicalCompound:acdMostBpk...	6.279
chemicalCompound:chemblId	CHEMBL1409331
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:933215
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:4601265