723109

Source:http://linkedlifedata.com/resource/chembl/compound/723109

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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/C19H22N2O5S/c1-13(2)12-20-27(23,24)16-6-3-14(4-7-16)19(22)21-15-5-8-17-18(11-15)26-10-9-25-17/h3-8,11,13,20H,9-10,12H2,1-2H3,(H,21,22)
chemicalCompound:standardIn...	PSBUYJXUXCNXSV-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)CNS(=O)(=O)c1ccc(cc1)C(=O)Nc2ccc3OCCOc3c2
chemicalCompound:molecularF...	C19H22N2O5S
chemicalCompound:moleculeId	723109
chemicalCompound:mwFreebase	390.453
chemicalCompound:alogp	2.503
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	102.11
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.905
chemicalCompound:acdLogP	2.894
chemicalCompound:acdLogD	2.894
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	390.453
chemicalCompound:chemblId	CHEMBL1299225
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:823109
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:3630518, activity:3802948, activity:3832963, activity:4539781, activity:4978435, activity:5410171, activity:5540628, activity:5560191, activity:5789650, activity:5873220, activity:6573922, activity:7169163, activity:7414375