795841

Source:http://linkedlifedata.com/resource/chembl/compound/795841

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C11H16N4O/c1-15(2,3)9-11(16)14-13-8-10-4-6-12-7-5-10/h4-8H,9H2,1-3H3/p+1
chemicalCompound:standardIn...	JBSOGTMDLDPPJY-UHFFFAOYSA-O
chemicalCompound:canonicalS...	C[N+](C)(C)CC(=O)N\N=C\c1ccncc1
chemicalCompound:molecularF...	C11H17N4O
chemicalCompound:moleculeId	795841
chemicalCompound:mwFreebase	221.279
chemicalCompound:alogp	-1.481
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	54.35
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.447
chemicalCompound:acdLogP	-2.315
chemicalCompound:acdLogD	-2.271
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	221.279
chemicalCompound:acdMostBpk...	3.064
chemicalCompound:chemblId	CHEMBL1371957
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:895841
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:4019448, activity:5989001, activity:6010432, activity:6013655, activity:6059832, activity:6072258