184625

Source:http://linkedlifedata.com/resource/chembl/compound/184625

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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/C21H24N8O/c1-4-18(25-21-23-8-6-20(26-21)17-3-2-7-22-16-17)15-19(5-1)27-28-24-9-10-29-11-13-30-14-12-29/h1-8,15-16H,9-14H2,(H,24,27)(H,23,25,26)
chemicalCompound:standardIn...	LQDTVJCKGXASAK-UHFFFAOYSA-N
chemicalCompound:canonicalS...	C(CN1CCOCC1)N=NNc2cccc(Nc3nccc(n3)c4cccnc4)c2
chemicalCompound:molecularF...	C21 H24 N8 O
chemicalCompound:moleculeId	184625
chemicalCompound:mwFreebase	404.468
chemicalCompound:alogp	2.285
chemicalCompound:hba	9
chemicalCompound:hbd	2
chemicalCompound:psa	99.92
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.369
chemicalCompound:acdLogD	2.254
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	404.468
chemicalCompound:acdMostBpk...	7.202
chemicalCompound:chemblId	CHEMBL112245
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:284625
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:355673, activity:355674