319455

Source:http://linkedlifedata.com/resource/chembl/compound/319455

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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/C16H20N6O4S2/c23-22(24)13-6-5-7-14(12-13)28(25,26)19-9-4-2-1-3-8-17-15-20-27-16-18-10-11-21(15)16/h5-7,10-12,19H,1-4,8-9H2,(H,17,20)
chemicalCompound:standardIn...	ZVLNLMIPMOOORI-UHFFFAOYSA-N
chemicalCompound:canonicalS...	[O-][N+](=O)c1cccc(c1)S(=O)(=O)NCCCCCCNc2nsc3nccn23
chemicalCompound:molecularF...	C16 H20 N6 O4 S2
chemicalCompound:moleculeId	319455
chemicalCompound:mwFreebase	424.498
chemicalCompound:alogp	2.04
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	170.83
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	10.528
chemicalCompound:acdLogP	2.253
chemicalCompound:acdLogD	2.252
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	424.498
chemicalCompound:acdMostBpk...	5.269
chemicalCompound:chemblId	CHEMBL192770
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:419455
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:1499670