781532

Source:http://linkedlifedata.com/resource/chembl/compound/781532

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Named Graph Language Inference

Statements in which the resource exists.
Subject	Predicate	Object	Context
chemicalCompound:781532	rdf:type	chembl:ChemicalCompound	lld:chembl
chemicalCompound:781532	chemicalCompound:parent	chemicalCompound:29097	lld:chembl
chemicalCompound:781532	chemicalCompound:standardIn...	InChI=1S/C20H22ClN3O.2ClH.2H2O/c1-3-24(4-2)13-14-11-16(6-8-20(14)25)23-18-9-10-22-19-12-15(21)5-7-17(18)19;;;;/h5-12,25H,3-4,13H2,1-2H3,(H,22,23);21H;21H2	lld:chembl
chemicalCompound:781532	chemicalCompound:standardIn...	YVNAYSHNIILOJS-UHFFFAOYSA-N	lld:chembl
chemicalCompound:781532	chemicalCompound:canonicalS...	O.O.Cl.Cl.CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O	lld:chembl
chemicalCompound:781532	chemicalCompound:molecularF...	C20H28Cl3N3O3	lld:chembl
chemicalCompound:781532	chemicalCompound:moleculeId	781532	lld:chembl
chemicalCompound:781532	chemicalCompound:mwFreebase	355.861	lld:chembl
chemicalCompound:781532	chemicalCompound:alogp	4.76	lld:chembl
chemicalCompound:781532	chemicalCompound:hba	4	lld:chembl
chemicalCompound:781532	chemicalCompound:hbd	2	lld:chembl
chemicalCompound:781532	chemicalCompound:psa	48.39	lld:chembl
chemicalCompound:781532	chemicalCompound:rtb	6	lld:chembl
chemicalCompound:781532	chemicalCompound:ro3Pass	N	lld:chembl
chemicalCompound:781532	chemicalCompound:numRo5viol...	0	lld:chembl
chemicalCompound:781532	chemicalCompound:medChemFri...	Y	lld:chembl
chemicalCompound:781532	chemicalCompound:acdMostApk...	9.428	lld:chembl
chemicalCompound:781532	chemicalCompound:acdLogP	3.126	lld:chembl
chemicalCompound:781532	chemicalCompound:acdLogD	0.952	lld:chembl
chemicalCompound:781532	chemicalCompound:molecularS...	molecularSpecies:NEUTRAL	lld:chembl
chemicalCompound:781532	chemicalCompound:fullMwt	464.814	lld:chembl
chemicalCompound:781532	chemicalCompound:acdMostBpk...	5.623	lld:chembl
chemicalCompound:781532	chemicalCompound:chemblId	CHEMBL1357648	lld:chembl
chemicalCompound:781532	chemicalCompound:maxPhase	0	lld:chembl
chemicalCompound:781532	chemicalCompound:therapeuti...	0	lld:chembl
chemicalCompound:781532	chemicalCompound:dosedIngre...	No	lld:chembl
chemicalCompound:781532	chemicalCompound:structureT...	structureType:MOL	lld:chembl
chemicalCompound:781532	chemicalCompound:chebi	https://linkedlifedata.com/...	lld:chembl
chemicalCompound:781532	chemicalCompound:moleculeTy...	moleculeType:Small molecule	lld:chembl
chemicalCompound:781532	chemicalCompound:oral	No	lld:chembl
chemicalCompound:781532	chemicalCompound:parenteral	No	lld:chembl
chemicalCompound:781532	chemicalCompound:topical	No	lld:chembl
chemicalCompound:781532	chemicalCompound:blackBoxWa...	No	lld:chembl
chemicalCompound:781532	chemicalCompound:naturalPro...	No	lld:chembl
chemicalCompound:781532	chemicalCompound:proDrug	No	lld:chembl
chemicalCompound:781532	chemicalCompound:chebiParen...	https://linkedlifedata.com/...	lld:chembl
chemicalCompound:781532	chemicalCompound:activity	activity:3928492	lld:chembl
chemicalCompound:781532	chemicalCompound:activity	activity:4117631	lld:chembl
chemicalCompound:781532	chemicalCompound:activity	activity:4519682	lld:chembl
chemicalCompound:781532	chemicalCompound:activity	activity:4663442	lld:chembl
chemicalCompound:781532	chemicalCompound:activity	activity:4986135	lld:chembl
chemicalCompound:781532	chemicalCompound:activity	activity:5776349	lld:chembl
chemicalCompound:781532	chemicalCompound:activity	activity:5863741	lld:chembl
chemicalCompound:781532	chemicalCompound:activity	activity:6715928	lld:chembl
chemicalCompound:781532	chemicalCompound:activity	activity:7297403	lld:chembl
chemicalCompound:781532	chemicalCompound:activity	activity:7561674	lld:chembl
chemicalCompound:781532	chemicalCompound:activity	activity:7564190	lld:chembl
chemicalCompound:781532	chemicalCompound:activity	activity:9347064	lld:chembl
http://linkedlifedata.com/r...	http://linkedlifedata.com/r...	chemicalCompound:781532	lld:chembl