47694

Source:http://linkedlifedata.com/resource/chembl/compound/47694

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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/C22H16N2O2/c25-21(20-22(26)19-18(14-24-20)10-5-11-23-19)17-9-4-8-16(13-17)12-15-6-2-1-3-7-15/h1-11,13-14,26H,12H2
chemicalCompound:standardIn...	KOIRVGGHXVYBOP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Oc1c(ncc2cccnc12)C(=O)c3cccc(Cc4ccccc4)c3
chemicalCompound:molecularF...	C22H16N2O2
chemicalCompound:moleculeId	47694
chemicalCompound:mwFreebase	340.375
chemicalCompound:alogp	4.431
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	63.08
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.431
chemicalCompound:acdLogP	5.009
chemicalCompound:acdLogD	2.532
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	340.375
chemicalCompound:acdMostBpk...	0.794
chemicalCompound:chemblId	CHEMBL36070
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:147694
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:982184, activity:1205749, activity:1205750, activity:1205751, activity:1610619, activity:2602099, activity:2920550