89669

Source:http://linkedlifedata.com/resource/chembl/compound/89669

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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/C10H14BrNO2/c1-13-9-6-8(11)10(14-2)5-7(9)3-4-12/h5-6H,3-4,12H2,1-2H3
chemicalCompound:standardIn...	YMHOBZXQZVXHBM-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cc(CCN)c(OC)cc1Br
chemicalCompound:molecularF...	C10H14BrNO2
chemicalCompound:moleculeId	89669
chemicalCompound:mwFreebase	260.128
chemicalCompound:alogp	1.972
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	44.48
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.259
chemicalCompound:acdLogD	0.315
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	260.128
chemicalCompound:acdMostBpk...	9.37
chemicalCompound:chemblId	CHEMBL292821
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:189669
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:189669
chemicalCompound:activity	activity:315508, activity:315509, activity:315510, activity:315511, activity:315512, activity:494645, activity:494646, activity:572356, activity:572357, activity:572358, activity:1203317, activity:1766506, activity:1766512, activity:1766519, activity:1766522, activity:1766525, activity:1771787, activity:2558480, activity:2558547