815736

Source:http://linkedlifedata.com/resource/chembl/compound/815736

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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/C13H13N3O4S/c1-2-12-15-16-13(20-12)21-6-11(17)14-8-3-4-9-10(5-8)19-7-18-9/h3-5H,2,6-7H2,1H3,(H,14,17)
chemicalCompound:standardIn...	HTAZJTJZPZSWBM-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCc1oc(SCC(=O)Nc2ccc3OCOc3c2)nn1
chemicalCompound:molecularF...	C13H13N3O4S
chemicalCompound:moleculeId	815736
chemicalCompound:mwFreebase	307.325
chemicalCompound:alogp	1.619
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	111.78
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.703
chemicalCompound:acdLogP	1
chemicalCompound:acdLogD	1
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	307.325
chemicalCompound:acdMostBpk...	0.907
chemicalCompound:chemblId	CHEMBL1391852
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:915736
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:3903360, activity:4677953, activity:5055852