33576

Source:http://linkedlifedata.com/resource/chembl/compound/33576

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:33576_GNF-PF-2188_RESEARCH_CODE, synonym:33576_Vandetanib_INN, synonym:33576_Vandetanib_USAN, synonym:33576_ZD-6474_RESEARCH_CODE, synonym:33576_ZD-64_RESEARCH_CODE, synonym:33576_Zactima_TRADE_NAME
chemicalCompound:standardIn...	InChI=1S/C22H24BrFN4O2/c1-28-7-5-14(6-8-28)12-30-21-11-19-16(10-20(21)29-2)22(26-13-25-19)27-18-4-3-15(23)9-17(18)24/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27)
chemicalCompound:standardIn...	UHTHHESEBZOYNR-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cc2\C(=N\c3ccc(Br)cc3F)\N=CNc2cc1OCC4CCN(C)CC4
chemicalCompound:molecularF...	C22H24BrFN4O2
chemicalCompound:moleculeId	33576
chemicalCompound:mwFreebase	475.354
chemicalCompound:alogp	4.197
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	58.45
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.776
chemicalCompound:acdLogD	2.133
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	475.354
chemicalCompound:acdMostBpk...	9.023
chemicalCompound:chemblId	CHEMBL24828
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:133576
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	Yes
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	VANDETANIB
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:49960
chemicalCompound:firstAppro...	2011
chemicalCompound:activity	activity:1516652, activity:1516653, activity:1516654, activity:1651080, activity:1651091, activity:1651102, activity:1651113, activity:1651124, activity:1651135, activity:1651146, activity:1651157, activity:1651168, activity:1651179, activity:1651190, activity:1651201, activity:1651212, activity:1651223, activity:1651234, activity:1651245, activity:1651256, activity:1651267, activity:1651278, activity:1651289, activity:1651300, activity:1651311, activity:1651322, activity:1651333, activity:1651344, activity:1651355, activity:1651366, activity:1651377, activity:1651388, activity:1651399, activity:1651410, activity:1651421, activity:1651432, activity:1651443, activity:1651454, activity:1651465, activity:1651476, activity:1651487, activity:1651498, activity:1651509, activity:1651520, activity:1651531, activity:1651542, activity:1651553, activity:1651564, activity:1651575, activity:1651586, activity:1651597, activity:1651608, activity:1651619, activity:1651630, activity:1651641, activity:1651652, activity:1651663, activity:1651674