869613

Source:http://linkedlifedata.com/resource/chembl/compound/869613

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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/C22H20ClN5O3S/c1-14-10-18(19(30-2)11-16(14)23)25-20(29)13-32-22-27-26-21(17-7-3-4-8-24-17)28(22)12-15-6-5-9-31-15/h3-11H,12-13H2,1-2H3,(H,25,29)
chemicalCompound:standardIn...	IOYVSNSTOQWTNS-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cc(Cl)c(C)cc1NC(=O)CSc2nnc(c3ccccn3)n2Cc4occc4
chemicalCompound:molecularF...	C22H20ClN5O3S
chemicalCompound:moleculeId	869613
chemicalCompound:mwFreebase	469.944
chemicalCompound:alogp	4.222
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	120.37
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.357
chemicalCompound:acdLogP	4.028
chemicalCompound:acdLogD	4.028
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	469.944
chemicalCompound:acdMostBpk...	0.939
chemicalCompound:chemblId	CHEMBL1445729
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:969613
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:4261892, activity:4314925, activity:4375921, activity:4439723, activity:4675076, activity:5342356, activity:5409702, activity:5420806, activity:5499042, activity:5532308, activity:5536008, activity:5538345, activity:5563085, activity:5855508, activity:5860134, activity:5863946, activity:5881631, activity:5905774, activity:5973736, activity:5976349, activity:6487953, activity:7089308, activity:7448053