1021219

Source:http://linkedlifedata.com/resource/chembl/compound/1021219

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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/C23H22N6O5S/c30-21(26-17-6-8-19(9-7-17)35(32,33)28-10-12-34-13-11-28)15-27-16-24-22-20(23(27)31)14-25-29(22)18-4-2-1-3-5-18/h1-9,14,16H,10-13,15H2,(H,26,30)
chemicalCompound:standardIn...	GFKIHACFFOITCC-UHFFFAOYSA-N
chemicalCompound:canonicalS...	O=C(CN1C=Nc2c(cnn2c3ccccc3)C1=O)Nc4ccc(cc4)S(=O)(=O)N5CCOCC5
chemicalCompound:molecularF...	C23H22N6O5S
chemicalCompound:moleculeId	1021219
chemicalCompound:mwFreebase	494.523
chemicalCompound:alogp	0.748
chemicalCompound:hba	7
chemicalCompound:hbd	1
chemicalCompound:psa	134.58
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.767
chemicalCompound:acdLogP	2.829
chemicalCompound:acdLogD	2.829
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	494.523
chemicalCompound:chemblId	CHEMBL1597335
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1121219
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:3647806, activity:3866247, activity:3977317, activity:4481376, activity:4552098, activity:5596843, activity:5853242, activity:5865841, activity:6521243, activity:6865844, activity:7248890, activity:7260289