1281154

Source:http://linkedlifedata.com/resource/chembl/compound/1281154

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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/C22H16BrNO5S/c23-19-12-10-17(11-13-19)22(25)21(14-18-8-4-5-9-20(18)24(26)27)30(28,29)15-16-6-2-1-3-7-16/h1-14H,15H2/b21-14+
chemicalCompound:standardIn...	ZSIJUTQEBLZOEY-KGENOOAVSA-N
chemicalCompound:canonicalS...	[O-][N+](=O)c1ccccc1\C=C(/C(=O)c2ccc(Br)cc2)\S(=O)(=O)Cc3ccccc3
chemicalCompound:molecularF...	C22H16BrNO5S
chemicalCompound:moleculeId	1281154
chemicalCompound:mwFreebase	486.335
chemicalCompound:alogp	5.158
chemicalCompound:hba	5
chemicalCompound:hbd	0
chemicalCompound:psa	105.41
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	3.988
chemicalCompound:acdLogD	3.988
chemicalCompound:fullMwt	486.335
chemicalCompound:chemblId	CHEMBL1952160
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1381154
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:8038367, activity:8039318