1282439

Source:http://linkedlifedata.com/resource/chembl/compound/1282439

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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/C22H20N2O4S/c1-13(2)22(25)18-9-10-20(15(4)14(18)3)28-11-21-23-19(12-29-21)16-5-7-17(8-6-16)24(26)27/h5-10,12H,1,11H2,2-4H3
chemicalCompound:standardIn...	BCKFZUOXTURQGD-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(=C)C(=O)c1ccc(OCc2nc(cs2)c3ccc(cc3)[N+](=O)[O-])c(C)c1C
chemicalCompound:molecularF...	C22H20N2O4S
chemicalCompound:moleculeId	1282439
chemicalCompound:mwFreebase	408.47
chemicalCompound:alogp	5.743
chemicalCompound:hba	5
chemicalCompound:hbd	0
chemicalCompound:psa	113.25
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	3.942
chemicalCompound:acdLogD	3.942
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	408.47
chemicalCompound:acdMostBpk...	0.56
chemicalCompound:chemblId	CHEMBL1956913
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1382439
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:8059094, activity:8059117