283187

Source:http://linkedlifedata.com/resource/chembl/compound/283187

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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/C25H26N4O3S/c1-28-24-14-18-4-3-13-29(23(18)15-22(24)27-25(28)26)16-17-5-9-20(10-6-17)33(30,31)21-11-7-19(32-2)8-12-21/h5-12,14-15H,3-4,13,16H2,1-2H3,(H2,26,27)
chemicalCompound:standardIn...	HDVHULPVSPSYAG-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccc(cc1)S(=O)(=O)c2ccc(CN3CCCc4cc5c(cc34)nc(N)n5C)cc2
chemicalCompound:molecularF...	C25 H26 N4 O3 S
chemicalCompound:moleculeId	283187
chemicalCompound:mwFreebase	462.564
chemicalCompound:alogp	4.709
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	98.83
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.077
chemicalCompound:acdLogD	2.209
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	462.564
chemicalCompound:acdMostBpk...	8.215
chemicalCompound:chemblId	CHEMBL171057
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:383187
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:671547, activity:671548, activity:671549, activity:671550, activity:671551, activity:671552, activity:671553