194981

Source:http://linkedlifedata.com/resource/chembl/compound/194981

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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/C13H16N4O2/c14-12-9(7-16-13(15)17-12)5-8-1-2-10-11(6-8)19-4-3-18-10/h1-2,6,9H,3-5,7H2,(H4,14,15,16,17)
chemicalCompound:standardIn...	BGGJCVGEWWWVHU-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NC1=NCC(Cc2ccc3OCCOc3c2)C(=N1)N
chemicalCompound:molecularF...	C13 H16 N4 O2
chemicalCompound:moleculeId	194981
chemicalCompound:mwFreebase	260.292
chemicalCompound:alogp	0.933
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	95.22
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	0.34
chemicalCompound:acdLogD	-1.66
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	260.292
chemicalCompound:acdMostBpk...	15.759
chemicalCompound:chemblId	CHEMBL119204
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:294981
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:875611