89

Source:http://linkedlifedata.com/resource/chembl/compound/89

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Named Graph Language Inference

Statements in which the resource exists.
Subject	Predicate	Object	Context
chemicalCompound:89	rdf:type	chembl:ChemicalCompound	lld:chembl
chemicalCompound:89	chemicalCompound:standardIn...	InChI=1S/C23H24BrN5O3/c1-31-19-13-17-18(14-20(19)32-2)26-23(27-22(17)25)29-11-9-28(10-12-29)21(30)8-5-15-3-6-16(24)7-4-15/h3-8,13-14H,9-12H2,1-2H3,(H2,25,26,27)/b8-5+	lld:chembl
chemicalCompound:89	chemicalCompound:standardIn...	MHIHVTNOKUCTSW-VMPITWQZSA-N	lld:chembl
chemicalCompound:89	chemicalCompound:canonicalS...	COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)\C=C\c4ccc(Br)cc4	lld:chembl
chemicalCompound:89	chemicalCompound:molecularF...	C23 H24 Br N5 O3	lld:chembl
chemicalCompound:89	chemicalCompound:moleculeId	89	lld:chembl
chemicalCompound:89	chemicalCompound:mwFreebase	498.372	lld:chembl
chemicalCompound:89	chemicalCompound:alogp	3.308	lld:chembl
chemicalCompound:89	chemicalCompound:hba	7	lld:chembl
chemicalCompound:89	chemicalCompound:hbd	1	lld:chembl
chemicalCompound:89	chemicalCompound:psa	93.81	lld:chembl
chemicalCompound:89	chemicalCompound:rtb	5	lld:chembl
chemicalCompound:89	chemicalCompound:ro3Pass	N	lld:chembl
chemicalCompound:89	chemicalCompound:numRo5viol...	0	lld:chembl
chemicalCompound:89	chemicalCompound:medChemFri...	N	lld:chembl
chemicalCompound:89	chemicalCompound:acdLogP	3.427	lld:chembl
chemicalCompound:89	chemicalCompound:acdLogD	3.373	lld:chembl
chemicalCompound:89	chemicalCompound:molecularS...	molecularSpecies:NEUTRAL	lld:chembl
chemicalCompound:89	chemicalCompound:fullMwt	498.372	lld:chembl
chemicalCompound:89	chemicalCompound:acdMostBpk...	6.524	lld:chembl
chemicalCompound:89	chemicalCompound:chemblId	CHEMBL6290	lld:chembl
chemicalCompound:89	chemicalCompound:maxPhase	0	lld:chembl
chemicalCompound:89	chemicalCompound:therapeuti...	0	lld:chembl
chemicalCompound:89	chemicalCompound:dosedIngre...	No	lld:chembl
chemicalCompound:89	chemicalCompound:structureT...	structureType:MOL	lld:chembl
chemicalCompound:89	chemicalCompound:chebi	https://linkedlifedata.com/...	lld:chembl
chemicalCompound:89	chemicalCompound:moleculeTy...	moleculeType:Small molecule	lld:chembl
chemicalCompound:89	chemicalCompound:oral	No	lld:chembl
chemicalCompound:89	chemicalCompound:parenteral	No	lld:chembl
chemicalCompound:89	chemicalCompound:topical	No	lld:chembl
chemicalCompound:89	chemicalCompound:blackBoxWa...	No	lld:chembl
chemicalCompound:89	chemicalCompound:naturalPro...	No	lld:chembl
chemicalCompound:89	chemicalCompound:proDrug	No	lld:chembl
chemicalCompound:89	chemicalCompound:activity	activity:320785	lld:chembl
chemicalCompound:89	chemicalCompound:activity	activity:320786	lld:chembl
chemicalCompound:552109	chemicalCompound:parent	chemicalCompound:89	lld:chembl
http://linkedlifedata.com/r...	http://linkedlifedata.com/r...	chemicalCompound:89	lld:chembl