957194

Source:http://linkedlifedata.com/resource/chembl/compound/957194

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:8910
chemicalCompound:standardIn...	InChI=1S/C5H9N3.2ClH/c6-2-1-5-3-7-4-8-5;;/h3-4H,1-2,6H2,(H,7,8);2*1H
chemicalCompound:standardIn...	PPZMYIBUHIPZOS-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.Cl.NCCc1c[nH]cn1
chemicalCompound:molecularF...	C5H11Cl2N3
chemicalCompound:moleculeId	957194
chemicalCompound:mwFreebase	111.145
chemicalCompound:alogp	-0.714
chemicalCompound:hba	2
chemicalCompound:hbd	2
chemicalCompound:psa	54.7
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	-0.7
chemicalCompound:acdLogD	-2.697
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	184.067
chemicalCompound:acdMostBpk...	9.26
chemicalCompound:chemblId	CHEMBL1533310
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1057194
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:4715424, activity:4749854, activity:4929925, activity:5029134, activity:7471511