42938

Source:http://linkedlifedata.com/resource/chembl/compound/42938

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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/C28H31N3O6S/c1-38(34,35)30-14-8-19(9-15-30)26-17-22-16-20(6-7-25(22)37-26)27(32)29-12-10-23(11-13-29)31-24-5-3-2-4-21(24)18-36-28(31)33/h2-7,16-17,19,23H,8-15,18H2,1H3
chemicalCompound:standardIn...	HRVHYIKNSXVCMD-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CS(=O)(=O)N1CCC(CC1)c2oc3ccc(cc3c2)C(=O)N4CCC(CC4)N5C(=O)OCc6ccccc56
chemicalCompound:molecularF...	C28 H31 N3 O6 S
chemicalCompound:moleculeId	42938
chemicalCompound:mwFreebase	537.627
chemicalCompound:alogp	2.713
chemicalCompound:hba	5
chemicalCompound:hbd	0
chemicalCompound:psa	108.75
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.079
chemicalCompound:acdLogD	2.079
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	537.627
chemicalCompound:acdMostBpk...	0.736
chemicalCompound:chemblId	CHEMBL31978
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:142938
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:47930, activity:47931, activity:47932