75741

Source:http://linkedlifedata.com/resource/chembl/compound/75741

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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/C16H19N3O/c20-10-8-17-15-5-7-18-16(11-15)19-9-6-13-3-1-2-4-14(13)12-19/h1-5,7,11,20H,6,8-10,12H2,(H,17,18)
chemicalCompound:standardIn...	BWIGAKMTCNFCFE-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OCCNc1ccnc(c1)N2CCc3ccccc3C2
chemicalCompound:molecularF...	C16 H19 N3 O
chemicalCompound:moleculeId	75741
chemicalCompound:mwFreebase	269.342
chemicalCompound:alogp	1.688
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	48.39
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	0.946
chemicalCompound:acdLogD	0
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	269.342
chemicalCompound:acdMostBpk...	9.257
chemicalCompound:chemblId	CHEMBL299294
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:175741
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:868066, activity:868067, activity:868068, activity:868069, activity:868070, activity:999634, activity:999635, activity:999636