405360

Source:http://linkedlifedata.com/resource/chembl/compound/405360

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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/C19H20N4O2/c20-15-3-7-17(8-4-15)25-16-5-1-14(2-6-16)18-13-19(22-21-18)23-9-11-24-12-10-23/h1-8,13H,9-12,20H2,(H,21,22)
chemicalCompound:standardIn...	XTXYJSGSFORJKH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Nc1ccc(Oc2ccc(cc2)c3cc([nH]n3)N4CCOCC4)cc1
chemicalCompound:molecularF...	C19 H20 N4 O2
chemicalCompound:moleculeId	405360
chemicalCompound:mwFreebase	336.388
chemicalCompound:alogp	3.008
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	76.39
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.291
chemicalCompound:acdLogD	3.282
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	336.388
chemicalCompound:acdMostBpk...	5.66
chemicalCompound:chemblId	CHEMBL238438
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:505360
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:2000305, activity:2000321, activity:2000337, activity:2000353, activity:2000369, activity:2000385