270085

Source:http://linkedlifedata.com/resource/chembl/compound/270085

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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/C6H10BrNO3/c7-4-2(6(10)11)1-3(9)5(4)8/h2-5,9H,1,8H2,(H,10,11)/t2-,3-,4+,5+/m0/s1
chemicalCompound:standardIn...	NAMUYDLTJMUKFY-QMKXCQHVSA-N
chemicalCompound:canonicalS...	N[C@@H]1[C@@H](O)C[C@@H]([C@H]1Br)C(=O)O
chemicalCompound:molecularF...	C6 H10 Br N O3
chemicalCompound:moleculeId	270085
chemicalCompound:mwFreebase	224.052
chemicalCompound:alogp	-2.99
chemicalCompound:hba	4
chemicalCompound:hbd	3
chemicalCompound:psa	83.55
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.602
chemicalCompound:acdLogP	0
chemicalCompound:acdLogD	-2.502
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	224.052
chemicalCompound:acdMostBpk...	9.905
chemicalCompound:chemblId	CHEMBL354471
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:370085
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:1016308, activity:1016309