172795

Source:http://linkedlifedata.com/resource/chembl/compound/172795

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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/C25H29N5O5S2/c1-36(32,33)30-14-12-29(13-15-30)25(31)22(17-18-6-4-9-20(16-18)24(26)27)28-37(34,35)23-11-5-8-19-7-2-3-10-21(19)23/h2-11,16,22,28H,12-15,17H2,1H3,(H3,26,27)
chemicalCompound:standardIn...	SSYPATBDYOCKHJ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CS(=O)(=O)N1CCN(CC1)C(=O)C(Cc2cccc(c2)C(=N)N)NS(=O)(=O)c3cccc4ccccc34
chemicalCompound:molecularF...	C25 H29 N5 O5 S2
chemicalCompound:moleculeId	172795
chemicalCompound:mwFreebase	543.658
chemicalCompound:alogp	1.019
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	170.48
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.401
chemicalCompound:acdLogP	-0.426
chemicalCompound:acdLogD	-2.426
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	543.658
chemicalCompound:acdMostBpk...	11.719
chemicalCompound:chemblId	CHEMBL321162
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:272795
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:696882, activity:696883, activity:696884, activity:696885