582127

Source:http://linkedlifedata.com/resource/chembl/compound/582127

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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/C21H24FN5O2S/c1-14-15(2)29-21(25-14)30-13-17-9-18(27-5-7-28-8-6-27)10-20(26-17)24-12-16-3-4-19(22)23-11-16/h3-4,9-11H,5-8,12-13H2,1-2H3,(H,24,26)
chemicalCompound:standardIn...	JXDOUBAASAWDFE-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1oc(SCc2cc(cc(NCc3ccc(F)nc3)n2)N4CCOCC4)nc1C
chemicalCompound:molecularF...	C21H24FN5O2S
chemicalCompound:moleculeId	582127
chemicalCompound:mwFreebase	429.511
chemicalCompound:alogp	3.104
chemicalCompound:hba	7
chemicalCompound:hbd	1
chemicalCompound:psa	101.61
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.506
chemicalCompound:acdLogD	1
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	429.511
chemicalCompound:acdMostBpk...	7.808
chemicalCompound:chemblId	CHEMBL582790
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:682127
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:3011196, activity:3011215