725478

Source:http://linkedlifedata.com/resource/chembl/compound/725478

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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/C20H21N3O5S/c1-28-16-8-7-14(12-17(16)29(26,27)22-10-3-2-4-11-22)13-23-19(24)15-6-5-9-21-18(15)20(23)25/h5-9,12H,2-4,10-11,13H2,1H3
chemicalCompound:standardIn...	UPRBRZFCDURXGU-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccc(CN2C(=O)c3cccnc3C2=O)cc1S(=O)(=O)N4CCCCC4
chemicalCompound:molecularF...	C20H21N3O5S
chemicalCompound:moleculeId	725478
chemicalCompound:mwFreebase	415.463
chemicalCompound:alogp	1.741
chemicalCompound:hba	6
chemicalCompound:hbd	0
chemicalCompound:psa	105.26
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.011
chemicalCompound:acdLogD	1.011
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	415.463
chemicalCompound:chemblId	CHEMBL1301594
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:825478
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:4220400, activity:4327282, activity:4738805, activity:5015686, activity:5825885