500814

Source:http://linkedlifedata.com/resource/chembl/compound/500814

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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/C25H18F3N5O3S/c1-33-21-20(11-12-29-22(21)32-24(33)35)36-19-10-9-18(16-7-2-3-8-17(16)19)31-23(34)30-14-5-4-6-15(13-14)37-25(26,27)28/h2-13H,1H3,(H,29,32,35)(H2,30,31,34)
chemicalCompound:standardIn...	XGLWWRXGTFBUAC-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN1C(=O)Nc2nccc(Oc3ccc(NC(=O)Nc4cccc(SC(F)(F)F)c4)c5ccccc35)c12
chemicalCompound:molecularF...	C25H18F3N5O3S
chemicalCompound:moleculeId	500814
chemicalCompound:mwFreebase	525.502
chemicalCompound:alogp	6.126
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	120.89
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.677
chemicalCompound:acdLogP	5.966
chemicalCompound:acdLogD	5.961
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	525.502
chemicalCompound:acdMostBpk...	5.382
chemicalCompound:chemblId	CHEMBL487718
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:600814
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:2635091, activity:2635133, activity:2635137