548080

Source:http://linkedlifedata.com/resource/chembl/compound/548080

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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:665371
chemicalCompound:standardIn...	InChI=1S/C12H14N2O.ClH/c1-8-9-4-2-3-5-10(9)15-11(8)12-13-6-7-14-12;/h2-5,8,11H,6-7H2,1H3,(H,13,14);1H
chemicalCompound:standardIn...	OBRVEDLVGZMZOI-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.CC1C(Oc2ccccc12)C3=NCCN3
chemicalCompound:molecularF...	C12H15ClN2O
chemicalCompound:moleculeId	548080
chemicalCompound:mwFreebase	202.252
chemicalCompound:alogp	1.481
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	33.61
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.56
chemicalCompound:acdLogD	0.706
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	238.713
chemicalCompound:acdMostBpk...	9.791
chemicalCompound:chemblId	CHEMBL542516
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:648080
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:1044223, activity:1044224, activity:1044225, activity:1044226, activity:1044227