501824

Source:http://linkedlifedata.com/resource/chembl/compound/501824

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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/C21H15F4N5O3S/c1-34-16-9-11(33-15-6-7-26-18-17(15)29-20(32)30-18)3-5-13(16)27-19(31)28-14-8-10(21(23,24)25)2-4-12(14)22/h2-9H,1H3,(H2,27,28,31)(H2,26,29,30,32)
chemicalCompound:standardIn...	FDDWGCNOHJMCBF-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CSc1cc(Oc2ccnc3NC(=O)Nc23)ccc1NC(=O)Nc4cc(ccc4F)C(F)(F)F
chemicalCompound:molecularF...	C21H15F4N5O3S
chemicalCompound:moleculeId	501824
chemicalCompound:mwFreebase	493.434
chemicalCompound:alogp	4.024
chemicalCompound:hba	5
chemicalCompound:hbd	4
chemicalCompound:psa	129.68
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.763
chemicalCompound:acdLogP	3.982
chemicalCompound:acdLogD	3.981
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	493.434
chemicalCompound:acdMostBpk...	4.256
chemicalCompound:chemblId	CHEMBL496202
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:601824
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:2635081, activity:2635155, activity:2635158