88409

Source:http://linkedlifedata.com/resource/chembl/compound/88409

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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/C22H16FN5O/c23-17-8-6-15(7-9-17)21(29)26-18-4-1-5-19(13-18)27-22-25-12-10-20(28-22)16-3-2-11-24-14-16/h1-14H,(H,26,29)(H,25,27,28)
chemicalCompound:standardIn...	MBAORQXUHJBLIE-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Fc1ccc(cc1)C(=O)Nc2cccc(Nc3nccc(n3)c4cccnc4)c2
chemicalCompound:molecularF...	C22 H16 F N5 O
chemicalCompound:moleculeId	88409
chemicalCompound:mwFreebase	385.394
chemicalCompound:alogp	3.271
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	79.8
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.026
chemicalCompound:acdLogP	3.626
chemicalCompound:acdLogD	3.626
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	385.394
chemicalCompound:acdMostBpk...	2.694
chemicalCompound:chemblId	CHEMBL418279
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:188409
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:919069, activity:919070, activity:919071, activity:919072, activity:919073, activity:919074, activity:919075