1282440

Source:http://linkedlifedata.com/resource/chembl/compound/1282440

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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/C26H23NO2S/c1-16(2)26(28)22-11-12-24(18(4)17(22)3)29-14-25-27-23(15-30-25)21-10-9-19-7-5-6-8-20(19)13-21/h5-13,15H,1,14H2,2-4H3
chemicalCompound:standardIn...	OJMBRKQSYMYLOI-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(=C)C(=O)c1ccc(OCc2nc(cs2)c3ccc4ccccc4c3)c(C)c1C
chemicalCompound:molecularF...	C26H23NO2S
chemicalCompound:moleculeId	1282440
chemicalCompound:mwFreebase	413.531
chemicalCompound:alogp	6.757
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	67.43
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	5.537
chemicalCompound:acdLogD	5.537
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	413.531
chemicalCompound:acdMostBpk...	1.878
chemicalCompound:chemblId	CHEMBL1956914
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1382440
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:8059095, activity:8059118