29465

Source:http://linkedlifedata.com/resource/chembl/compound/29465

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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/C17H25BrN2O3/c1-4-20-10-6-7-12(20)11-19-17(21)15-14(22-3)9-8-13(18)16(15)23-5-2/h8-9,12H,4-7,10-11H2,1-3H3,(H,19,21)/t12-/m0/s1
chemicalCompound:standardIn...	UANCYESJBBDKLC-LBPRGKRZSA-N
chemicalCompound:canonicalS...	CCOc1c(Br)ccc(OC)c1C(=O)NC[C@@H]2CCCN2CC
chemicalCompound:molecularF...	C17 H25 Br N2 O3
chemicalCompound:moleculeId	29465
chemicalCompound:mwFreebase	385.296
chemicalCompound:alogp	3.079
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	50.8
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.645
chemicalCompound:acdLogP	2.701
chemicalCompound:acdLogD	0.89
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	385.296
chemicalCompound:acdMostBpk...	8.97
chemicalCompound:chemblId	CHEMBL282463
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:129465
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:65851, activity:65852, activity:65853