887976

Source:http://linkedlifedata.com/resource/chembl/compound/887976

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:507189
chemicalCompound:standardIn...	InChI=1S/C13H16N2.ClH/c1-9-3-4-12-10(7-9)11-8-15(2)6-5-13(11)14-12;/h3-4,7,14H,5-6,8H2,1-2H3;1H
chemicalCompound:standardIn...	PFONODSJWIPQRB-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.CN1CCc2[nH]c3ccc(C)cc3c2C1
chemicalCompound:molecularF...	C13H17ClN2
chemicalCompound:moleculeId	887976
chemicalCompound:mwFreebase	200.28
chemicalCompound:alogp	2.763
chemicalCompound:hba	1
chemicalCompound:hbd	1
chemicalCompound:psa	19.03
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.613
chemicalCompound:acdLogD	0.097
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	236.74
chemicalCompound:acdMostBpk...	9.019
chemicalCompound:chemblId	CHEMBL1464092
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:987976
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:4354109, activity:4623107, activity:4828744, activity:5845837