405362

Source:http://linkedlifedata.com/resource/chembl/compound/405362

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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/C19H20N4O/c1-2-4-16(5-3-1)24-17-8-6-15(7-9-17)18-14-19(22-21-18)23-12-10-20-11-13-23/h1-9,14,20H,10-13H2,(H,21,22)
chemicalCompound:standardIn...	JBAGAKSCBHZIIC-UHFFFAOYSA-N
chemicalCompound:canonicalS...	C1CN(CCN1)c2cc(n[nH]2)c3ccc(Oc4ccccc4)cc3
chemicalCompound:molecularF...	C19 H20 N4 O
chemicalCompound:moleculeId	405362
chemicalCompound:mwFreebase	320.388
chemicalCompound:alogp	3.489
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	53.18
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.014
chemicalCompound:acdLogD	2.622
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	320.388
chemicalCompound:acdMostBpk...	8.892
chemicalCompound:chemblId	CHEMBL238442
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:505362
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:2000303, activity:2000319, activity:2000335, activity:2000351, activity:2000367, activity:2000383