41764

Source:http://linkedlifedata.com/resource/chembl/compound/41764

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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:41764_CI-1033_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C24H25ClFN5O3/c1-2-23(32)30-21-13-17-20(14-22(21)34-9-3-6-31-7-10-33-11-8-31)27-15-28-24(17)29-16-4-5-19(26)18(25)12-16/h2,4-5,12-15H,1,3,6-11H2,(H,30,32)(H,27,28,29)
chemicalCompound:standardIn...	OMZCMEYTWSXEPZ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl
chemicalCompound:molecularF...	C24H25ClFN5O3
chemicalCompound:moleculeId	41764
chemicalCompound:mwFreebase	485.938
chemicalCompound:alogp	4.037
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	88.61
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	12.093
chemicalCompound:acdLogP	1.099
chemicalCompound:acdLogD	0.957
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	485.938
chemicalCompound:acdMostBpk...	6.994
chemicalCompound:chemblId	CHEMBL31965
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:141764
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	CANERTINIB
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:61399
chemicalCompound:activity	activity:121735, activity:121736, activity:121737, activity:121738, activity:121739, activity:790534, activity:790535, activity:790536, activity:790537, activity:790538, activity:790539, activity:790540, activity:790541, activity:790542, activity:790543, activity:790544, activity:790545, activity:790546, activity:790547, activity:1651081, activity:1651092, activity:1651103, activity:1651114, activity:1651125, activity:1651136, activity:1651147, activity:1651158, activity:1651169, activity:1651180, activity:1651191, activity:1651202, activity:1651213, activity:1651224, activity:1651235, activity:1651246, activity:1651257, activity:1651268, activity:1651279, activity:1651290, activity:1651301, activity:1651312, activity:1651323, activity:1651334, activity:1651345, activity:1651356, activity:1651367, activity:1651378, activity:1651389, activity:1651400, activity:1651411, activity:1651422, activity:1651433, activity:1651444, activity:1651455, activity:1651466, activity:1651477, activity:1651488, activity:1651499, activity:1651510, activity:1651521, activity:1651532, activity:1651543, activity:1651554