439602

Source:http://linkedlifedata.com/resource/chembl/compound/439602

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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/C21H24N4O4S2/c1-28-17-12-15(13-20-22-23-21(30)25(20)16-8-4-3-5-9-16)19(14-18(17)29-2)31(26,27)24-10-6-7-11-24/h3-5,8-9,12,14H,6-7,10-11,13H2,1-2H3,(H,23,30)
chemicalCompound:standardIn...	LOSDIIIGCYZZFW-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cc(CC2=NNC(=S)N2c3ccccc3)c(cc1OC)S(=O)(=O)N4CCCC4
chemicalCompound:molecularF...	C21 H24 N4 O4 S2
chemicalCompound:moleculeId	439602
chemicalCompound:mwFreebase	460.57
chemicalCompound:alogp	3.258
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	123.93
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	5.467
chemicalCompound:acdLogP	0.518
chemicalCompound:acdLogD	-1.152
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	460.57
chemicalCompound:chemblId	CHEMBL407468
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:539602
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:2091809, activity:2091810, activity:2091817, activity:2091818, activity:2091837, activity:2091838, activity:2091857, activity:2091858, activity:2091877, activity:2091878, activity:2091893, activity:2091894, activity:2091915, activity:2091916, activity:2091947, activity:2091948, activity:2091970, activity:2091971, activity:2091991, activity:2091992, activity:2092024, activity:2092025, activity:2092039, activity:2092040, activity:2092063, activity:2092064, activity:2092081