33

Source:http://linkedlifedata.com/resource/chembl/compound/33

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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/C18H21N5O4S2/c1-26-14-10-12-13(11-15(14)27-2)20-18(21-17(12)19)22-5-7-23(8-6-22)29(24,25)16-4-3-9-28-16/h3-4,9-11H,5-8H2,1-2H3,(H2,19,20,21)
chemicalCompound:standardIn...	RYVAEGMROPOPOW-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)S(=O)(=O)c4cccs4
chemicalCompound:molecularF...	C18 H21 N5 O4 S2
chemicalCompound:moleculeId	33
chemicalCompound:mwFreebase	435.52
chemicalCompound:alogp	1.581
chemicalCompound:hba	8
chemicalCompound:hbd	1
chemicalCompound:psa	147.5
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.637
chemicalCompound:acdLogD	3.587
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	435.52
chemicalCompound:acdMostBpk...	6.495
chemicalCompound:chemblId	CHEMBL112998
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100033
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:343861, activity:343862