612112

Source:http://linkedlifedata.com/resource/chembl/compound/612112

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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/C16H16N2O4/c1-11-5-3-6-12(9-11)18-16(20)22-14-8-4-7-13(10-14)17-15(19)21-2/h3-10H,1-2H3,(H,17,19)(H,18,20)
chemicalCompound:standardIn...	IDOWTHOLJBTAFI-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COC(=O)Nc1cccc(OC(=O)Nc2cccc(C)c2)c1
chemicalCompound:molecularF...	C16H16N2O4
chemicalCompound:moleculeId	612112
chemicalCompound:mwFreebase	300.309
chemicalCompound:alogp	3.42
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	76.66
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.032
chemicalCompound:acdLogP	3.59
chemicalCompound:acdLogD	3.59
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	300.309
chemicalCompound:acdMostBpk...	0.314
chemicalCompound:chemblId	CHEMBL1079421
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:712112
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	PHENMEDIPHAM
chemicalCompound:activity	activity:3218592, activity:3218597, activity:3218601, activity:3218602, activity:3218603, activity:3218604, activity:3218605, activity:3218698, activity:4181606, activity:4542194, activity:5006135, activity:5070947, activity:6468065, activity:6558643