415

Source:http://linkedlifedata.com/resource/chembl/compound/415

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:415_PNU-22394_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C13H16N2/c1-15-12-5-3-2-4-10(12)11-6-8-14-9-7-13(11)15/h2-5,14H,6-9H2,1H3
chemicalCompound:standardIn...	ZBXDOQWPGBISAR-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cn1c2CCNCCc2c3ccccc13
chemicalCompound:molecularF...	C13 H16 N2
chemicalCompound:moleculeId	415
chemicalCompound:mwFreebase	200.28
chemicalCompound:alogp	2.267
chemicalCompound:hba	1
chemicalCompound:hbd	1
chemicalCompound:psa	16.96
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.135
chemicalCompound:acdLogD	-0.766
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	200.28
chemicalCompound:acdMostBpk...	10.733
chemicalCompound:chemblId	CHEMBL6557
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100415
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	PNU-22394
chemicalCompound:activity	activity:202171, activity:202172, activity:916435, activity:916436, activity:916437