847544

Source:http://linkedlifedata.com/resource/chembl/compound/847544

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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/C16H17N3O2S/c1-20-13-4-3-11(9-14(13)21-2)5-7-17-15-12-6-8-22-16(12)19-10-18-15/h3-4,6,8-10H,5,7H2,1-2H3,(H,17,18,19)
chemicalCompound:standardIn...	HZSOEMDGVPQNDT-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccc(CCNc2ncnc3sccc23)cc1OC
chemicalCompound:molecularF...	C16H17N3O2S
chemicalCompound:moleculeId	847544
chemicalCompound:mwFreebase	315.39
chemicalCompound:alogp	2.859
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	84.51
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.157
chemicalCompound:acdLogD	2.154
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	315.39
chemicalCompound:acdMostBpk...	5.266
chemicalCompound:chemblId	CHEMBL1423660
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:947544
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:3645117, activity:3762980, activity:3855919, activity:3865767, activity:4093607, activity:4237033, activity:4716553, activity:4814748, activity:5467361, activity:5665464, activity:5862920, activity:5898380, activity:5961492, activity:6462157, activity:6729603, activity:6847525, activity:6906747, activity:6968739, activity:7325792, activity:7433913, activity:10324172, activity:10625412