730685

Source:http://linkedlifedata.com/resource/chembl/compound/730685

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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/C15H16N2O3/c1-3-20-15(19)14(17-10(2)18)8-11-9-16-13-7-5-4-6-12(11)13/h4-9,16H,3H2,1-2H3,(H,17,18)/b14-8+
chemicalCompound:standardIn...	RURYKVASRBINOW-RIYZIHGNSA-N
chemicalCompound:canonicalS...	CCOC(=O)\C(=C/c1c[nH]c2ccccc12)\NC(=O)C
chemicalCompound:molecularF...	C15H16N2O3
chemicalCompound:moleculeId	730685
chemicalCompound:mwFreebase	272.299
chemicalCompound:alogp	1.62
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	71.19
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	12.811
chemicalCompound:acdLogP	2.296
chemicalCompound:acdLogD	2.296
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	272.299
chemicalCompound:chemblId	CHEMBL1306801
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:830685
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:4156984, activity:5853240, activity:5865839, activity:6449202, activity:6552843, activity:6653903, activity:6892189, activity:7512856