710904

Source:http://linkedlifedata.com/resource/chembl/compound/710904

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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/C22H22N4O4S/c1-14-6-7-19(28-3)18(11-14)23-20(27)13-31-22-25-24-21(17-8-10-29-15(17)2)26(22)12-16-5-4-9-30-16/h4-11H,12-13H2,1-3H3,(H,23,27)
chemicalCompound:standardIn...	JIQXSKRWMHMIHA-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccc(C)cc1NC(=O)CSc2nnc(c3ccoc3C)n2Cc4occc4
chemicalCompound:molecularF...	C22H22N4O4S
chemicalCompound:moleculeId	710904
chemicalCompound:mwFreebase	438.499
chemicalCompound:alogp	3.529
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	120.62
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.322
chemicalCompound:acdLogP	3.764
chemicalCompound:acdLogD	3.764
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	438.499
chemicalCompound:acdMostBpk...	1.565
chemicalCompound:chemblId	CHEMBL1271649
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:810904
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:3531438, activity:3531473