711465

Source:http://linkedlifedata.com/resource/chembl/compound/711465

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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/C22H22N4O3S/c1-16-19(10-13-28-16)21-24-25-22(26(21)14-18-8-5-12-29-18)30-15-20(27)23-11-9-17-6-3-2-4-7-17/h2-8,10,12-13H,9,11,14-15H2,1H3,(H,23,27)
chemicalCompound:standardIn...	BKGWDUNOEZJBOB-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1occc1c2nnc(SCC(=O)NCCc3ccccc3)n2Cc4occc4
chemicalCompound:molecularF...	C22H22N4O3S
chemicalCompound:moleculeId	711465
chemicalCompound:mwFreebase	422.5
chemicalCompound:alogp	3.387
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	111.39
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.994
chemicalCompound:acdLogP	3.623
chemicalCompound:acdLogD	3.623
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	422.5
chemicalCompound:acdMostBpk...	0.365
chemicalCompound:chemblId	CHEMBL1272205
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:811465
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:3531445, activity:3531496