224582

Source:http://linkedlifedata.com/resource/chembl/compound/224582

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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/C17H17N5O3/c1-11-2-4-12(5-3-11)13-8-22-16(24)14-15(20-17(22)19-13)21(9-18-14)10-25-7-6-23/h2-5,8-9,23-24H,6-7,10H2,1H3
chemicalCompound:standardIn...	ZOZOLXHQNWNZOB-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1ccc(cc1)c2cn3c(O)c4ncn(COCCO)c4nc3n2
chemicalCompound:molecularF...	C17 H17 N5 O3
chemicalCompound:moleculeId	224582
chemicalCompound:mwFreebase	339.349
chemicalCompound:alogp	2.148
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	97.7
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	-4.777
chemicalCompound:acdLogP	1.232
chemicalCompound:acdLogD	-1.659
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	339.349
chemicalCompound:acdMostBpk...	7.658
chemicalCompound:chemblId	CHEMBL134765
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:324582
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:1068283, activity:1068284, activity:1068285, activity:1068286, activity:1068287, activity:1068288, activity:1068289, activity:1068290, activity:1068291, activity:1068292, activity:1068293