420273

Source:http://linkedlifedata.com/resource/chembl/compound/420273

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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/C13H12F3N5O/c14-13(15,16)6-21-9-2-4-18-11(22)7(9)5-10(21)8-1-3-19-12(17)20-8/h1,3,5H,2,4,6H2,(H,18,22)(H2,17,19,20)
chemicalCompound:standardIn...	FZQGWLBZCBLLGD-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Nc1nccc(n1)c2cc3C(=O)NCCc3n2CC(F)(F)F
chemicalCompound:molecularF...	C13 H12 F3 N5 O
chemicalCompound:moleculeId	420273
chemicalCompound:mwFreebase	311.262
chemicalCompound:alogp	1.658
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	85.83
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	0.221
chemicalCompound:acdLogD	0.22
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	311.262
chemicalCompound:acdMostBpk...	3.796
chemicalCompound:chemblId	CHEMBL430021
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:520273
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:2068725