130512

Source:http://linkedlifedata.com/resource/chembl/compound/130512

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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/C17H17NO4S/c1-3-18(4-2)17(19)12-9-10-16-14(11-12)22-13-7-5-6-8-15(13)23(16,20)21/h5-11H,3-4H2,1-2H3
chemicalCompound:standardIn...	YNJWMIBCVDLXCP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCN(CC)C(=O)c1ccc2c(Oc3ccccc3S2(=O)=O)c1
chemicalCompound:molecularF...	C17 H17 N O4 S
chemicalCompound:moleculeId	130512
chemicalCompound:mwFreebase	331.386
chemicalCompound:alogp	2.774
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	72.06
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.7
chemicalCompound:acdLogD	1.7
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	331.386
chemicalCompound:chemblId	CHEMBL79282
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:230512
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:323567, activity:323568