166548

Source:http://linkedlifedata.com/resource/chembl/compound/166548

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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:66620
chemicalCompound:standardIn...	InChI=1S/C15H13N.ClH/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15;/h1-9H,10,16H2;1H
chemicalCompound:standardIn...	WYAPSIOWXSDTNS-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.NCc1c2ccccc2cc3ccccc13
chemicalCompound:molecularF...	C15H14ClN
chemicalCompound:moleculeId	166548
chemicalCompound:mwFreebase	207.27
chemicalCompound:alogp	2.752
chemicalCompound:hba	1
chemicalCompound:hbd	1
chemicalCompound:psa	26.02
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.733
chemicalCompound:acdLogD	2.079
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	243.731
chemicalCompound:acdMostBpk...	9.06
chemicalCompound:chemblId	CHEMBL100654
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:266548
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:148488