711466

Source:http://linkedlifedata.com/resource/chembl/compound/711466

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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/C22H21N5O3S/c1-15-18(9-12-29-15)21-23-24-22(26(21)13-17-6-4-11-30-17)31-14-20(28)25-27-10-8-16-5-2-3-7-19(16)27/h2-7,9,11-12H,8,10,13-14H2,1H3,(H,25,28)
chemicalCompound:standardIn...	YSVGZTIVRGTXFJ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1occc1c2nnc(SCC(=O)NN3CCc4ccccc34)n2Cc5occc5
chemicalCompound:molecularF...	C22H21N5O3S
chemicalCompound:moleculeId	711466
chemicalCompound:mwFreebase	435.499
chemicalCompound:alogp	3.362
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	114.63
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.82
chemicalCompound:acdLogP	3.393
chemicalCompound:acdLogD	3.392
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	435.499
chemicalCompound:acdMostBpk...	2.273
chemicalCompound:chemblId	CHEMBL1272206
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:811466
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:3531450, activity:3531497