184257

Source:http://linkedlifedata.com/resource/chembl/compound/184257

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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/C17H14BrNO3/c18-10-3-5-11(6-4-10)19-17(22)14-15(20)12-8-1-2-9(7-8)13(12)16(14)21/h1-6,8-9,12-13,20H,7H2,(H,19,22)/t8-,9+,12-,13+/m0/s1
chemicalCompound:standardIn...	HRHOINWQZBZCDH-GAQJKIJGSA-N
chemicalCompound:canonicalS...	OC1=C(C(=O)Nc2ccc(Br)cc2)C(=O)[C@@H]3[C@H]4C[C@H](C=C4)[C@H]13
chemicalCompound:molecularF...	C17 H14 Br N O3
chemicalCompound:moleculeId	184257
chemicalCompound:mwFreebase	360.202
chemicalCompound:alogp	2.209
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	66.4
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.5
chemicalCompound:acdLogP	4.248
chemicalCompound:acdLogD	1.444
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	360.202
chemicalCompound:chemblId	CHEMBL321149
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:284257
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:92193