96243

Source:http://linkedlifedata.com/resource/chembl/compound/96243

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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/C25H23N3O5S/c29-24-22-15-21(8-9-23(22)27(25(24)30)16-18-10-12-26-13-11-18)34(31,32)28-14-4-5-19(28)17-33-20-6-2-1-3-7-20/h1-3,6-13,15,19H,4-5,14,16-17H2/t19-/m0/s1
chemicalCompound:standardIn...	DEVAZYROZHPIFA-IBGZPJMESA-N
chemicalCompound:canonicalS...	O=C1N(Cc2ccncc2)c3ccc(cc3C1=O)S(=O)(=O)N4CCC[C@H]4COc5ccccc5
chemicalCompound:molecularF...	C25 H23 N3 O5 S
chemicalCompound:moleculeId	96243
chemicalCompound:mwFreebase	477.532
chemicalCompound:alogp	2.548
chemicalCompound:hba	6
chemicalCompound:hbd	0
chemicalCompound:psa	105.26
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.719
chemicalCompound:acdLogD	2.718
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	477.532
chemicalCompound:acdMostBpk...	4.793
chemicalCompound:chemblId	CHEMBL300369
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:196243
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:367377, activity:367378, activity:367379, activity:2702699, activity:2702720