801

Source:http://linkedlifedata.com/resource/chembl/compound/801

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Named Graph Language Inference

Statements in which the resource exists.
Subject	Predicate	Object	Context
chemicalCompound:801	chemicalCompound:standardIn...	InChI=1S/C18H17ClN4S/c19-13-6-7-15-16(12-13)22-18(24-14-4-2-1-3-5-14)17(21-15)23-10-8-20-9-11-23/h1-7,12,20H,8-11H2	lld:chembl
chemicalCompound:801	chemicalCompound:standardIn...	KFNGYQUIDOPJEE-UHFFFAOYSA-N	lld:chembl
chemicalCompound:801	chemicalCompound:canonicalS...	Clc1ccc2nc(N3CCNCC3)c(Sc4ccccc4)nc2c1	lld:chembl
chemicalCompound:801	chemicalCompound:molecularF...	C18H17ClN4S	lld:chembl
chemicalCompound:801	chemicalCompound:moleculeId	801	lld:chembl
chemicalCompound:801	chemicalCompound:mwFreebase	356.872	lld:chembl
chemicalCompound:801	chemicalCompound:alogp	4.738	lld:chembl
chemicalCompound:801	chemicalCompound:hba	5	lld:chembl
chemicalCompound:801	chemicalCompound:hbd	1	lld:chembl
chemicalCompound:801	chemicalCompound:psa	66.35	lld:chembl
chemicalCompound:801	chemicalCompound:rtb	3	lld:chembl
chemicalCompound:801	chemicalCompound:ro3Pass	N	lld:chembl
chemicalCompound:801	chemicalCompound:numRo5viol...	0	lld:chembl
chemicalCompound:801	chemicalCompound:medChemFri...	Y	lld:chembl
chemicalCompound:801	chemicalCompound:acdLogP	3.036	lld:chembl
chemicalCompound:801	chemicalCompound:acdLogD	2.231	lld:chembl
chemicalCompound:801	chemicalCompound:molecularS...	molecularSpecies:NEUTRAL	lld:chembl
chemicalCompound:801	chemicalCompound:fullMwt	356.872	lld:chembl
chemicalCompound:801	chemicalCompound:acdMostBpk...	8.102	lld:chembl
chemicalCompound:801	chemicalCompound:chemblId	CHEMBL6888	lld:chembl
chemicalCompound:801	chemicalCompound:maxPhase	0	lld:chembl
chemicalCompound:801	chemicalCompound:therapeuti...	0	lld:chembl
chemicalCompound:801	chemicalCompound:dosedIngre...	No	lld:chembl
chemicalCompound:801	chemicalCompound:structureT...	structureType:MOL	lld:chembl
chemicalCompound:801	chemicalCompound:chebi	https://linkedlifedata.com/...	lld:chembl
chemicalCompound:801	chemicalCompound:moleculeTy...	moleculeType:Small molecule	lld:chembl
chemicalCompound:801	chemicalCompound:oral	No	lld:chembl
chemicalCompound:801	chemicalCompound:parenteral	No	lld:chembl
chemicalCompound:801	chemicalCompound:topical	No	lld:chembl
chemicalCompound:801	chemicalCompound:blackBoxWa...	No	lld:chembl
chemicalCompound:801	chemicalCompound:naturalPro...	No	lld:chembl
chemicalCompound:801	chemicalCompound:proDrug	No	lld:chembl
chemicalCompound:1122500	chemicalCompound:parent	chemicalCompound:801	lld:chembl