1021329

Source:http://linkedlifedata.com/resource/chembl/compound/1021329

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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/C15H19N3O/c1-2-19-12-6-11-16-15-10-9-14(17-18-15)13-7-4-3-5-8-13/h3-5,7-10H,2,6,11-12H2,1H3,(H,16,18)
chemicalCompound:standardIn...	ICOUCLBABPQCFU-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCOCCCNc1ccc(nn1)c2ccccc2
chemicalCompound:molecularF...	C15H19N3O
chemicalCompound:moleculeId	1021329
chemicalCompound:mwFreebase	257.331
chemicalCompound:alogp	2.787
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	47.04
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.876
chemicalCompound:acdLogD	2.875
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	257.331
chemicalCompound:acdMostBpk...	5.023
chemicalCompound:chemblId	CHEMBL1597445
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1121329
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:3764194, activity:3813251, activity:3854848, activity:3869219, activity:3957887, activity:4218031, activity:4699546, activity:4712519, activity:4858011, activity:4882523, activity:4911098, activity:5556768, activity:5598426, activity:5675079, activity:5898762, activity:6917811, activity:7123003, activity:7358331, activity:7416886