269650

Source:http://linkedlifedata.com/resource/chembl/compound/269650

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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/C15H22O5S/c16-9-11-12(17)13(18)14(19)15(20-11)21-8-4-7-10-5-2-1-3-6-10/h1-3,5-6,11-19H,4,7-9H2
chemicalCompound:standardIn...	XIEHARDFMWBINW-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OCC1OC(SCCCc2ccccc2)C(O)C(O)C1O
chemicalCompound:molecularF...	C15 H22 O5 S
chemicalCompound:moleculeId	269650
chemicalCompound:mwFreebase	314.397
chemicalCompound:alogp	1
chemicalCompound:hba	6
chemicalCompound:hbd	4
chemicalCompound:psa	115.45
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.01
chemicalCompound:acdLogP	0.355
chemicalCompound:acdLogD	0.354
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	314.397
chemicalCompound:chemblId	CHEMBL163405
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:369650
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:947945, activity:947946, activity:947947, activity:947948, activity:947949, activity:947950, activity:947951, activity:947952