950511

Source:http://linkedlifedata.com/resource/chembl/compound/950511

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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/C21H20FN3O3S/c1-13-18(29-21(24-13)14-7-9-15(28-2)10-8-14)11-12-23-19(26)20(27)25-17-6-4-3-5-16(17)22/h3-10H,11-12H2,1-2H3,(H,23,26)(H,25,27)
chemicalCompound:standardIn...	UGXLDQJBPRCKEA-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccc(cc1)c2nc(C)c(CCNC(=O)C(=O)Nc3ccccc3F)s2
chemicalCompound:molecularF...	C21H20FN3O3S
chemicalCompound:moleculeId	950511
chemicalCompound:mwFreebase	413.465
chemicalCompound:alogp	3.066
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	108.56
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.52
chemicalCompound:acdLogP	3.574
chemicalCompound:acdLogD	3.573
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	413.465
chemicalCompound:acdMostBpk...	3.405
chemicalCompound:chemblId	CHEMBL1526627
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1050511
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:3996249, activity:4010282, activity:4861826