49264

Source:http://linkedlifedata.com/resource/chembl/compound/49264

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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/C14H19NO6S/c16-6-9-11(18)12(19)13(20)14(21-9)22-7-10(17)15-8-4-2-1-3-5-8/h1-5,9,11-14,16,18-20H,6-7H2,(H,15,17)
chemicalCompound:standardIn...	JTMBSMVFQCBNSW-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OCC1OC(SCC(=O)Nc2ccccc2)C(O)C(O)C1O
chemicalCompound:molecularF...	C14 H19 N O6 S
chemicalCompound:moleculeId	49264
chemicalCompound:mwFreebase	329.369
chemicalCompound:alogp	-0.724
chemicalCompound:hba	7
chemicalCompound:hbd	5
chemicalCompound:psa	144.55
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.007
chemicalCompound:acdLogP	-1.179
chemicalCompound:acdLogD	-1.179
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	329.369
chemicalCompound:acdMostBpk...	0.386
chemicalCompound:chemblId	CHEMBL35844
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:149264
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:263536, activity:493841, activity:1098508