80899

Source:http://linkedlifedata.com/resource/chembl/compound/80899

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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/C12H9ClFN5O/c13-8-3-6(1-2-9(8)14)4-15-12-17-10-7(5-16-19-10)11(20)18-12/h1-3,5H,4H2,(H3,15,16,17,18,19,20)
chemicalCompound:standardIn...	WMRLFBRIIDHXEC-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Oc1[nH]c(NCc2ccc(F)c(Cl)c2)nc3nncc13
chemicalCompound:molecularF...	C12 H9 Cl F N5 O
chemicalCompound:moleculeId	80899
chemicalCompound:mwFreebase	293.684
chemicalCompound:alogp	1.845
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	86.72
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	2.165
chemicalCompound:acdLogP	1.315
chemicalCompound:acdLogD	-1.185
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	293.684
chemicalCompound:acdMostBpk...	12.113
chemicalCompound:chemblId	CHEMBL53589
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:180899
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:53591