439251

Source:http://linkedlifedata.com/resource/chembl/compound/439251

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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/C15H14N2O4S/c1-21-15(18)12-4-6-13(7-5-12)17-10-11-2-8-14(9-3-11)22(16,19)20/h2-10H,1H3,(H2,16,19,20)/b17-10+
chemicalCompound:standardIn...	CVTWWUQHTBCDEB-LICLKQGHSA-N
chemicalCompound:canonicalS...	COC(=O)c1ccc(cc1)\N=C\c2ccc(cc2)S(=O)(=O)N
chemicalCompound:molecularF...	C15 H14 N2 O4 S
chemicalCompound:moleculeId	439251
chemicalCompound:mwFreebase	318.348
chemicalCompound:alogp	1.987
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	107.2
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.755
chemicalCompound:acdLogP	2.05
chemicalCompound:acdLogD	2.048
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	318.348
chemicalCompound:acdMostBpk...	0.904
chemicalCompound:chemblId	CHEMBL255174
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:539251
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:2093932, activity:2093965, activity:2093998