340113

Source:http://linkedlifedata.com/resource/chembl/compound/340113

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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/C22H18FN5O3/c23-15-5-3-14(4-6-15)13-25-20-17(2-1-9-24-20)21-27-28-22(31-21)26-16-7-8-18-19(12-16)30-11-10-29-18/h1-9,12H,10-11,13H2,(H,24,25)(H,26,28)
chemicalCompound:standardIn...	QNSXSZFJLUWKGW-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Fc1ccc(CNc2ncccc2c3oc(Nc4ccc5OCCOc5c4)nn3)cc1
chemicalCompound:molecularF...	C22 H18 F N5 O3
chemicalCompound:moleculeId	340113
chemicalCompound:mwFreebase	419.408
chemicalCompound:alogp	3.355
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	94.33
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.57
chemicalCompound:acdLogD	3.57
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	419.408
chemicalCompound:acdMostBpk...	3.329
chemicalCompound:chemblId	CHEMBL204811
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:440113
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:1686152, activity:1686190