485628

Source:http://linkedlifedata.com/resource/chembl/compound/485628

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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/C17H18N2O11S/c20-9-11(21)13-14(12(22)17(23)29-13)27-7-4-8-28-15-16(19(24)30-18-15)31(25,26)10-5-2-1-3-6-10/h1-3,5-6,11,13,20-22H,4,7-9H2
chemicalCompound:standardIn...	WKQWAXYVVJNRMJ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OCC(O)C1OC(=O)C(=C1OCCCOc2no[n+]([O-])c2S(=O)(=O)c3ccccc3)O
chemicalCompound:molecularF...	C17H18N2O11S
chemicalCompound:moleculeId	485628
chemicalCompound:mwFreebase	458.397
chemicalCompound:alogp	-2.494
chemicalCompound:hba	11
chemicalCompound:hbd	3
chemicalCompound:psa	199.45
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.207
chemicalCompound:acdLogP	-0.17
chemicalCompound:acdLogD	-0.176
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	458.397
chemicalCompound:chemblId	CHEMBL494439
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:585628
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:2187628, activity:2187636, activity:2187644, activity:2187652, activity:2187662, activity:2187672