1217580

Source:http://linkedlifedata.com/resource/chembl/compound/1217580

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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:257241
chemicalCompound:standardIn...	InChI=1S/C10H14N2O.ClH/c1-7-4-3-5-8(2)10(7)12-9(13)6-11;/h3-5H,6,11H2,1-2H3,(H,12,13);1H
chemicalCompound:standardIn...	HPVGPNNVMZBKIB-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.Cc1cccc(C)c1NC(=O)CN
chemicalCompound:molecularF...	C10H15ClN2O
chemicalCompound:moleculeId	1217580
chemicalCompound:mwFreebase	178.231
chemicalCompound:alogp	0.961
chemicalCompound:hba	2
chemicalCompound:hbd	2
chemicalCompound:psa	55.12
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.895
chemicalCompound:acdLogP	0.454
chemicalCompound:acdLogD	0.336
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	214.692
chemicalCompound:acdMostBpk...	7.633
chemicalCompound:chemblId	CHEMBL1877009
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1317580
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:6517306, activity:7462258