1310584

Source:http://linkedlifedata.com/resource/chembl/compound/1310584

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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/C18H12FN3O/c19-14-10-20-8-7-12(14)11-5-6-13-17(9-11)21-15-3-1-2-4-16(15)22-18(13)23/h1-10,21H,(H,22,23)
chemicalCompound:standardIn...	PMXPVPGZZRMXIV-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Fc1cnccc1c2ccc3C(=O)Nc4ccccc4Nc3c2
chemicalCompound:molecularF...	C18H12FN3O
chemicalCompound:moleculeId	1310584
chemicalCompound:mwFreebase	305.306
chemicalCompound:alogp	2.908
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	54.02
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.281
chemicalCompound:acdLogP	1.041
chemicalCompound:acdLogD	1.041
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	305.306
chemicalCompound:acdMostBpk...	2.066
chemicalCompound:chemblId	CHEMBL1989293
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1410584
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:9548200, activity:9578309, activity:9581610, activity:9609067, activity:9616377, activity:9621295, activity:9623789, activity:9640486, activity:9644913, activity:9678625