361210

Source:http://linkedlifedata.com/resource/chembl/compound/361210

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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/C28H27BrN2O6S/c29-14-16-36-23-10-8-20(9-11-23)18-30-26-13-12-24(17-25(26)27(32)28(30)33)38(34,35)31-15-4-5-21(31)19-37-22-6-2-1-3-7-22/h1-3,6-13,17,21H,4-5,14-16,18-19H2/t21-/m0/s1
chemicalCompound:standardIn...	YZZZZAGTJYSDAA-NRFANRHFSA-N
chemicalCompound:canonicalS...	BrCCOc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N4CCC[C@H]4COc5ccccc5)cc1
chemicalCompound:molecularF...	C28 H27 Br N2 O6 S
chemicalCompound:moleculeId	361210
chemicalCompound:mwFreebase	599.493
chemicalCompound:alogp	4.492
chemicalCompound:hba	6
chemicalCompound:hbd	0
chemicalCompound:psa	101.6
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.568
chemicalCompound:acdLogD	4.568
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	599.493
chemicalCompound:chemblId	CHEMBL385930
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:461210
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:1778200, activity:1778219, activity:1778238, activity:1778257, activity:1778276, activity:1778294