1027927

Source:http://linkedlifedata.com/resource/chembl/compound/1027927

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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/C20H21N3O6S/c1-12-13(2)22-29-20(12)23-30(25,26)18-7-5-15(6-8-18)21-19(24)14-9-16(27-3)11-17(10-14)28-4/h5-11,23H,1-4H3,(H,21,24)
chemicalCompound:standardIn...	YYGATSHJVUTADA-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cc(OC)cc(c1)C(=O)Nc2ccc(cc2)S(=O)(=O)Nc3onc(C)c3C
chemicalCompound:molecularF...	C20H21N3O6S
chemicalCompound:moleculeId	1027927
chemicalCompound:mwFreebase	431.462
chemicalCompound:alogp	2.417
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	128.14
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.58
chemicalCompound:acdLogP	3.317
chemicalCompound:acdLogD	1.482
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	431.462
chemicalCompound:chemblId	CHEMBL1604043
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1127927
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:4009122, activity:5683940, activity:6445510, activity:6981312, activity:7029856, activity:7410556