295151

Source:http://linkedlifedata.com/resource/chembl/compound/295151

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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/C16H14N2O6S/c1-10-13(16(19)22-2)7-15(24-10)25(20,21)18-12-5-3-4-11(6-12)14-8-17-9-23-14/h3-9,18H,1-2H3
chemicalCompound:standardIn...	YMTPXZMGOFDKES-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COC(=O)c1cc(oc1C)S(=O)(=O)Nc2cccc(c2)c3ocnc3
chemicalCompound:molecularF...	C16 H14 N2 O6 S
chemicalCompound:moleculeId	295151
chemicalCompound:mwFreebase	362.357
chemicalCompound:alogp	1.253
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	120.02
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	6.589
chemicalCompound:acdLogP	1.77
chemicalCompound:acdLogD	0.913
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	362.357
chemicalCompound:acdMostBpk...	0.301
chemicalCompound:chemblId	CHEMBL367093
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:395151
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:980608, activity:4657010