805393

Source:http://linkedlifedata.com/resource/chembl/compound/805393

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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/C15H16N2O4S/c1-19-12-6-10(7-13(8-12)20-2)14(18)17-15(22)16-9-11-4-3-5-21-11/h3-8H,9H2,1-2H3,(H2,16,17,18,22)
chemicalCompound:standardIn...	QNCZOLNJCKRWRR-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cc(OC)cc(c1)C(=O)NC(=S)NCc2occc2
chemicalCompound:molecularF...	C15H16N2O4S
chemicalCompound:moleculeId	805393
chemicalCompound:mwFreebase	320.364
chemicalCompound:alogp	2.644
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	104.82
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	8.768
chemicalCompound:acdLogP	2.55
chemicalCompound:acdLogD	2.494
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	320.364
chemicalCompound:acdMostBpk...	0.504
chemicalCompound:chemblId	CHEMBL1381509
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:905393
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:4075146, activity:4144458, activity:4295431, activity:4461849, activity:4517587, activity:4782089, activity:5754533, activity:5851054, activity:6518336, activity:6782760, activity:7190533, activity:7367860