201894

Source:http://linkedlifedata.com/resource/chembl/compound/201894

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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/C9H11BrN2O/c10-9-8(2-1-4-12-9)13-6-7-3-5-11-7/h1-2,4,7,11H,3,5-6H2/t7-/m0/s1
chemicalCompound:standardIn...	APRWFNJAFUPZCN-ZETCQYMHSA-N
chemicalCompound:canonicalS...	Brc1ncccc1OC[C@@H]2CCN2
chemicalCompound:molecularF...	C9 H11 Br N2 O
chemicalCompound:moleculeId	201894
chemicalCompound:mwFreebase	243.1
chemicalCompound:alogp	1.158
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	34.15
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	0.973
chemicalCompound:acdLogD	-1.449
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	243.1
chemicalCompound:acdMostBpk...	9.942
chemicalCompound:chemblId	CHEMBL125779
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:301894
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:91851