197609

Source:http://linkedlifedata.com/resource/chembl/compound/197609

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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/C19H20N2O4/c1-13-16(11-21(23)19(20)22)9-15-10-17(7-8-18(15)25-13)24-12-14-5-3-2-4-6-14/h2-10,13,23H,11-12H2,1H3,(H2,20,22)
chemicalCompound:standardIn...	XYROCJNDELRQQB-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC1Oc2ccc(OCc3ccccc3)cc2C=C1CN(O)C(=O)N
chemicalCompound:molecularF...	C19 H20 N2 O4
chemicalCompound:moleculeId	197609
chemicalCompound:mwFreebase	340.373
chemicalCompound:alogp	2.869
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	85.02
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.184
chemicalCompound:acdLogP	3.033
chemicalCompound:acdLogD	3.031
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	340.373
chemicalCompound:chemblId	CHEMBL120745
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:297609
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:280346, activity:280347, activity:280348, activity:280349