888824

Source:http://linkedlifedata.com/resource/chembl/compound/888824

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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:1044411
chemicalCompound:standardIn...	InChI=1S/C13H16N2.ClH/c1-14-8-7-13-11(9-14)10-5-3-4-6-12(10)15(13)2;/h3-6H,7-9H2,1-2H3;1H
chemicalCompound:standardIn...	SQFVEXPBRZZFHM-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.CN1CCc2c(C1)c3ccccc3n2C
chemicalCompound:molecularF...	C13H17ClN2
chemicalCompound:moleculeId	888824
chemicalCompound:mwFreebase	200.28
chemicalCompound:alogp	2.482
chemicalCompound:hba	1
chemicalCompound:hbd	0
chemicalCompound:psa	8.17
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.531
chemicalCompound:acdLogD	-0.099
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	236.74
chemicalCompound:acdMostBpk...	9.035
chemicalCompound:chemblId	CHEMBL1464940
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:988824
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:5524998, activity:5582618, activity:5851908, activity:6002276, activity:6006080, activity:6009219, activity:6010782, activity:6047214, activity:6567253, activity:7169770, activity:7516090