16422

Source:http://linkedlifedata.com/resource/chembl/compound/16422

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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/C15H11NO2/c17-11-6-7-13-12(8-11)15(18)9-14(16-13)10-4-2-1-3-5-10/h1-9,17H,(H,16,18)
chemicalCompound:standardIn...	FLDBRFCAUNFZEQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Oc1ccc2nc(cc(O)c2c1)c3ccccc3
chemicalCompound:molecularF...	C15 H11 N O2
chemicalCompound:moleculeId	16422
chemicalCompound:mwFreebase	237.253
chemicalCompound:alogp	3.479
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	53.35
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.357
chemicalCompound:acdLogP	3.038
chemicalCompound:acdLogD	1.045
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	237.253
chemicalCompound:acdMostBpk...	11.336
chemicalCompound:chemblId	CHEMBL276535
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:116422
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:684313, activity:684314, activity:684315, activity:684316, activity:684317, activity:684318, activity:684319, activity:7984999, activity:7985005, activity:7985012, activity:7985022, activity:7985032, activity:7985042, activity:7985051, activity:7985061, activity:7985071, activity:7985081, activity:7985091, activity:7985101