534193

Source:http://linkedlifedata.com/resource/chembl/compound/534193

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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:1076
chemicalCompound:standardIn...	InChI=1S/C15H23N5.ClH/c1-14(2,3)10-6-8-11(9-7-10)20-13(17)18-12(16)19-15(20,4)5;/h6-9H,1-5H3,(H4,16,17,18,19);1H
chemicalCompound:standardIn...	PXFKORQYUISLFZ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.CC(C)(C)c1ccc(cc1)N2C(=NC(=NC2(C)C)N)N
chemicalCompound:molecularF...	C15H24ClN5
chemicalCompound:moleculeId	534193
chemicalCompound:mwFreebase	273.377
chemicalCompound:alogp	2.359
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	80
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.38
chemicalCompound:acdLogD	0.466
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	309.838
chemicalCompound:acdMostBpk...	10.055
chemicalCompound:chemblId	CHEMBL532444
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:634193
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:2826926, activity:2842702, activity:2854994, activity:2855209, activity:2875444, activity:2880637