457898

Source:http://linkedlifedata.com/resource/chembl/compound/457898

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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/C25H34N4O7S2/c1-17-4-8-20(9-5-17)28-25(31)29-38(34,35)21-10-6-19(7-11-21)14-15-26-37(32,33)22-12-13-23(27-18(2)30)24(16-22)36-3/h6-7,10-13,16-17,20,26H,4-5,8-9,14-15H2,1-3H3,(H,27,30)(H2,28,29,31)
chemicalCompound:standardIn...	ACXJGFDVHGRMNG-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cc(ccc1NC(=O)C)S(=O)(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCC(C)CC3
chemicalCompound:molecularF...	C25H34N4O7S2
chemicalCompound:moleculeId	457898
chemicalCompound:mwFreebase	566.69
chemicalCompound:alogp	2.551
chemicalCompound:hba	7
chemicalCompound:hbd	4
chemicalCompound:psa	176.52
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	5.06
chemicalCompound:acdLogP	2.839
chemicalCompound:acdLogD	1
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	566.69
chemicalCompound:chemblId	CHEMBL491682
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:557898
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:2270752, activity:2270771, activity:2270791, activity:2270811, activity:2270831, activity:2270851, activity:2270871, activity:2270891, activity:2270911, activity:2270928