223581

Source:http://linkedlifedata.com/resource/chembl/compound/223581

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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/C17H17N5O4/c1-25-12-4-2-3-11(7-12)13-8-22-16(24)14-15(20-17(22)19-13)21(9-18-14)10-26-6-5-23/h2-4,7-9,23-24H,5-6,10H2,1H3
chemicalCompound:standardIn...	NJGGLVSSRJNGJP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cccc(c1)c2cn3c(O)c4ncn(COCCO)c4nc3n2
chemicalCompound:molecularF...	C17 H17 N5 O4
chemicalCompound:moleculeId	223581
chemicalCompound:mwFreebase	355.348
chemicalCompound:alogp	1.645
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	106.93
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	-4.811
chemicalCompound:acdLogP	0.306
chemicalCompound:acdLogD	-2.496
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	355.348
chemicalCompound:acdMostBpk...	7.913
chemicalCompound:chemblId	CHEMBL337648
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:323581
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:1101334, activity:1101335, activity:1101336, activity:1101337, activity:1101338, activity:1101339, activity:1101340, activity:1101341, activity:1101342, activity:1101343, activity:1101344