1175626

Source:http://linkedlifedata.com/resource/chembl/compound/1175626

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C16H20N2O2/c1-12(2)7-6-8-13(3)11-15-19-16(18-20-15)14-9-4-5-10-17-14/h4-5,7,9-11,15H,6,8H2,1-3H3/b13-11+
chemicalCompound:standardIn...	YPXREACGLHCBFW-ACCUITESSA-N
chemicalCompound:canonicalS...	CC(=CCC\C(=C\C1ON=C(O1)c2ccccn2)\C)C
chemicalCompound:molecularF...	C16H20N2O2
chemicalCompound:moleculeId	1175626
chemicalCompound:mwFreebase	272.342
chemicalCompound:alogp	4.38
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	43.71
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	4.209
chemicalCompound:acdLogD	4.209
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	272.342
chemicalCompound:acdMostBpk...	1.458
chemicalCompound:chemblId	CHEMBL1828935
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1275626
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:6364319, activity:6364350, activity:6364406