1226242

Source:http://linkedlifedata.com/resource/chembl/compound/1226242

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:12957
chemicalCompound:standardIn...	InChI=1S/C19H19NOS.C4H4O4/c1-20-9-6-13(7-10-20)18-15-5-3-2-4-14(15)12-17(21)19-16(18)8-11-22-19;5-3(6)1-2-4(7)8/h2-5,8,11H,6-7,9-10,12H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
chemicalCompound:standardIn...	YNQQEYBLVYAWNX-BTJKTKAUSA-N
chemicalCompound:canonicalS...	CN1CCC(=C2c3ccccc3CC(=O)c4sccc24)CC1.OC(=O)\C=C/C(=O)O
chemicalCompound:molecularF...	C23H23NO5S
chemicalCompound:moleculeId	1226242
chemicalCompound:mwFreebase	309.425
chemicalCompound:alogp	3.768
chemicalCompound:hba	2
chemicalCompound:hbd	0
chemicalCompound:psa	48.55
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.192
chemicalCompound:acdLogD	0.744
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	425.497
chemicalCompound:acdMostBpk...	8.843
chemicalCompound:chemblId	CHEMBL1885671
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1326242
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:7062066, activity:7071332, activity:7508756