771482

Source:http://linkedlifedata.com/resource/chembl/compound/771482

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:1039992
chemicalCompound:standardIn...	InChI=1S/C18H17NO3.BrH/c1-19-7-6-10-8-13-18(22-9-21-13)15-11-4-2-3-5-12(11)17(20)16(19)14(10)15;/h2-5,8,16-17,20H,6-7,9H2,1H3;1H/t16-,17+;/m0./s1
chemicalCompound:standardIn...	JYSXPNJDFDZNNT-MCJVGQIASA-N
chemicalCompound:canonicalS...	Br.CN1CCc2cc3OCOc3c4c5ccccc5[C@@H](O)[C@@H]1c24
chemicalCompound:molecularF...	C18H18BrNO3
chemicalCompound:moleculeId	771482
chemicalCompound:mwFreebase	295.332
chemicalCompound:alogp	2.536
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	41.93
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.46
chemicalCompound:acdLogP	3.743
chemicalCompound:acdLogD	3.526
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	376.244
chemicalCompound:acdMostBpk...	7.153
chemicalCompound:chemblId	CHEMBL1347598
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:871482
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:3644398, activity:3721925, activity:3749045, activity:3771138, activity:3799016, activity:4040429, activity:4291249, activity:4324230, activity:4342759, activity:4356961, activity:4606716, activity:4645844, activity:4804663, activity:4844193, activity:5022006, activity:5075258, activity:5692516, activity:5741901, activity:5791233, activity:5978670, activity:6432190, activity:6455346, activity:6580054, activity:6747138, activity:6765138, activity:6879511, activity:6999913, activity:7043525, activity:7063033, activity:7141434, activity:7200801, activity:7269612, activity:7319017, activity:9984893, activity:10431918