248681

Source:http://linkedlifedata.com/resource/chembl/compound/248681

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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/C10H16N2O3S/c1-10(2,3)7-5(8(13)12-16-7)4-6(11)9(14)15/h6H,4,11H2,1-3H3,(H,12,13)(H,14,15)
chemicalCompound:standardIn...	FHWOAQCPEFTDOQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)(C)c1snc(O)c1CC(N)C(=O)O
chemicalCompound:molecularF...	C10 H16 N2 O3 S
chemicalCompound:moleculeId	248681
chemicalCompound:mwFreebase	244.311
chemicalCompound:alogp	-0.604
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	124.68
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	2.026
chemicalCompound:acdLogP	1.03
chemicalCompound:acdLogD	-1.537
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	244.311
chemicalCompound:acdMostBpk...	9.837
chemicalCompound:chemblId	CHEMBL151487
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:348681
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:61640, activity:61641, activity:61642, activity:61643, activity:61644