1282436

Source:http://linkedlifedata.com/resource/chembl/compound/1282436

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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/C23H22N2O4S/c1-5-14(2)23(26)19-10-11-21(16(4)15(19)3)29-12-22-24-20(13-30-22)17-6-8-18(9-7-17)25(27)28/h6-11,13H,2,5,12H2,1,3-4H3
chemicalCompound:standardIn...	CFEDUVWMEMGUPM-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCC(=C)C(=O)c1ccc(OCc2nc(cs2)c3ccc(cc3)[N+](=O)[O-])c(C)c1C
chemicalCompound:molecularF...	C23H22N2O4S
chemicalCompound:moleculeId	1282436
chemicalCompound:mwFreebase	422.497
chemicalCompound:alogp	6.199
chemicalCompound:hba	5
chemicalCompound:hbd	0
chemicalCompound:psa	113.25
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	4.452
chemicalCompound:acdLogD	4.452
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	422.497
chemicalCompound:acdMostBpk...	0.561
chemicalCompound:chemblId	CHEMBL1956910
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1382436
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:8059091, activity:8059114