444944

Source:http://linkedlifedata.com/resource/chembl/compound/444944

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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:9837
chemicalCompound:standardIn...	InChI=1S/C12H10N2.ClH/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12;/h2-7,14H,1H3;1H
chemicalCompound:standardIn...	COVNOIRYDKHLJD-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.Cc1nccc2c3ccccc3[nH]c12
chemicalCompound:molecularF...	C12H11ClN2
chemicalCompound:moleculeId	444944
chemicalCompound:mwFreebase	182.221
chemicalCompound:alogp	2.455
chemicalCompound:hba	1
chemicalCompound:hbd	1
chemicalCompound:psa	28.68
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.06
chemicalCompound:acdLogD	1.834
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	218.682
chemicalCompound:acdMostBpk...	8.623
chemicalCompound:chemblId	CHEMBL510348
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:544944
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:2436264, activity:2436265, activity:2436266, activity:2436267, activity:2436268, activity:2436313