1150558

Source:http://linkedlifedata.com/resource/chembl/compound/1150558

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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:317914
chemicalCompound:standardIn...	InChI=1S/C13H16N2.ClH/c1-15-12-4-5-13(15)8-11(7-12)10-3-2-6-14-9-10;/h2-3,6-7,9,12-13H,4-5,8H2,1H3;1H
chemicalCompound:standardIn...	VZIYSCOTNYAPSV-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.CN1C2CCC1C=C(C2)c3cccnc3
chemicalCompound:molecularF...	C13H17ClN2
chemicalCompound:moleculeId	1150558
chemicalCompound:mwFreebase	200.28
chemicalCompound:alogp	1.774
chemicalCompound:hba	2
chemicalCompound:hbd	0
chemicalCompound:psa	16.13
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.836
chemicalCompound:acdLogD	0.761
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	236.74
chemicalCompound:acdMostBpk...	8.506
chemicalCompound:chemblId	CHEMBL1783887
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1250558
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:6227853, activity:6227865, activity:6227877, activity:6227887, activity:6227899, activity:6227909, activity:6227921, activity:6227937, activity:6227949, activity:6227959, activity:6227968