496818

Source:http://linkedlifedata.com/resource/chembl/compound/496818

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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/C29H36N2O6S/c1-3-4-8-18-31(38(35,36)26-16-14-25(37-2)15-17-26)21-28(33)27(19-22-10-6-5-7-11-22)30-29(34)23-12-9-13-24(32)20-23/h5-7,9-17,20,27-28,32-33H,3-4,8,18-19,21H2,1-2H3,(H,30,34)/t27-,28+/m0/s1
chemicalCompound:standardIn...	XBIGEWVREAYQBP-WUFINQPMSA-N
chemicalCompound:canonicalS...	CCCCCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c2cccc(O)c2)S(=O)(=O)c3ccc(OC)cc3
chemicalCompound:molecularF...	C29H36N2O6S
chemicalCompound:moleculeId	496818
chemicalCompound:mwFreebase	540.671
chemicalCompound:alogp	4.752
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	124.55
chemicalCompound:rtb	14
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.242
chemicalCompound:acdLogP	5.752
chemicalCompound:acdLogD	5.746
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	540.671
chemicalCompound:chemblId	CHEMBL458000
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:596818
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:2496864, activity:2496906