88232

Source:http://linkedlifedata.com/resource/chembl/compound/88232

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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:88232_Gefitinib_BAN, synonym:88232_Gefitinib_FDA_ALTERNATIVE_NAME, synonym:88232_Gefitinib_INN, synonym:88232_Gefitinib_USAN, synonym:88232_Iressa_OTHER, synonym:88232_Iressa_TRADE_NAME, synonym:88232_ZD-1839_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)
chemicalCompound:standardIn...	XGALLCVXEZPNRQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cc2NC=N\C(=N/c3ccc(F)c(Cl)c3)\c2cc1OCCCN4CCOCC4
chemicalCompound:molecularF...	C22H24ClFN4O3
chemicalCompound:moleculeId	88232
chemicalCompound:mwFreebase	446.902
chemicalCompound:alogp	3.313
chemicalCompound:hba	7
chemicalCompound:hbd	1
chemicalCompound:psa	67.68
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.008
chemicalCompound:acdLogD	2.829
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	446.902
chemicalCompound:acdMostBpk...	7.085
chemicalCompound:chemblId	CHEMBL939
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:188232
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	GEFITINIB
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:49668
chemicalCompound:firstAppro...	2002
chemicalCompound:activity	activity:108863, activity:108864, activity:108865, activity:108866, activity:108867, activity:186630, activity:186631, activity:439189, activity:569181, activity:569182, activity:569183, activity:569184, activity:571790, activity:571791, activity:571792, activity:571793, activity:571794, activity:1651078, activity:1651089, activity:1651100, activity:1651111, activity:1651122, activity:1651133, activity:1651144, activity:1651155, activity:1651166, activity:1651177, activity:1651188, activity:1651199, activity:1651210, activity:1651221, activity:1651232, activity:1651243, activity:1651254, activity:1651265, activity:1651276, activity:1651287, activity:1651298, activity:1651309, activity:1651320, activity:1651331, activity:1651342, activity:1651353, activity:1651364, activity:1651375, activity:1651386, activity:1651397, activity:1651408, activity:1651419, activity:1651430, activity:1651441, activity:1651452, activity:1651463, activity:1651474, activity:1651485, activity:1651496, activity:1651507