170503

Source:http://linkedlifedata.com/resource/chembl/compound/170503

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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/C11H16N2/c1-13-8-3-2-6-11(13)10-5-4-7-12-9-10/h4-5,7,9,11H,2-3,6,8H2,1H3
chemicalCompound:standardIn...	WHAIHNKQZOMXJJ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN1CCCCC1c2cccnc2
chemicalCompound:molecularF...	C11 H16 N2
chemicalCompound:moleculeId	170503
chemicalCompound:mwFreebase	176.258
chemicalCompound:alogp	1.698
chemicalCompound:hba	2
chemicalCompound:hbd	0
chemicalCompound:psa	16.13
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.356
chemicalCompound:acdLogD	-0.097
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	176.258
chemicalCompound:acdMostBpk...	8.757
chemicalCompound:chemblId	CHEMBL102246
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:270503
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:1298729, activity:1298730, activity:7050571