229976

Source:http://linkedlifedata.com/resource/chembl/compound/229976

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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/C9H14N2S/c1-7-6-9(12-10-7)8-4-3-5-11(8)2/h6,8H,3-5H2,1-2H3/t8-/m0/s1
chemicalCompound:standardIn...	VDBARBSIVWSJSV-QMMMGPOBSA-N
chemicalCompound:canonicalS...	CN1CCC[C@H]1c2cc(C)ns2
chemicalCompound:molecularF...	C9 H14 N2 S
chemicalCompound:moleculeId	229976
chemicalCompound:mwFreebase	182.286
chemicalCompound:alogp	1.872
chemicalCompound:hba	2
chemicalCompound:hbd	0
chemicalCompound:psa	44.37
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.224
chemicalCompound:acdLogD	-0.465
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	182.286
chemicalCompound:acdMostBpk...	9.077
chemicalCompound:chemblId	CHEMBL139562
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:329976
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:261556, activity:261557