831799

Source:http://linkedlifedata.com/resource/chembl/compound/831799

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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:458338
chemicalCompound:standardIn...	InChI=1S/C17H19NO.ClH/c1-18-11-12-19-17(14-7-3-2-4-8-14)16-10-6-5-9-15(16)13-18;/h2-10,17H,11-13H2,1H3;1H
chemicalCompound:standardIn...	CNNVSINJDJNHQK-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.CN1CCOC(c2ccccc2)c3ccccc3C1
chemicalCompound:molecularF...	C17H20ClNO
chemicalCompound:moleculeId	831799
chemicalCompound:mwFreebase	253.339
chemicalCompound:alogp	3.138
chemicalCompound:hba	2
chemicalCompound:hbd	0
chemicalCompound:psa	12.47
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.912
chemicalCompound:acdLogD	0.162
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	289.8
chemicalCompound:acdMostBpk...	9.162
chemicalCompound:chemblId	CHEMBL1407915
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:931799
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:4587765, activity:4718145, activity:6552299, activity:7158615