611647

Source:http://linkedlifedata.com/resource/chembl/compound/611647

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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:14785
chemicalCompound:synonym	synonym:611647_CP-358774-01_RESEARCH_CODE, synonym:611647_Erlotinib Hydrochloride_INN, synonym:611647_Erlotinib Hydrochloride_USAN, synonym:611647_Erlotinib_INN, synonym:611647_OSI-774_RESEARCH_CODE, synonym:611647_Tarceva_TRADE_NAME
chemicalCompound:standardIn...	InChI=1S/C22H23N3O4.ClH/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22;/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25);1H
chemicalCompound:standardIn...	GTTBEUCJPZQMDZ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
chemicalCompound:molecularF...	C22H24ClN3O4
chemicalCompound:moleculeId	611647
chemicalCompound:mwFreebase	393.436
chemicalCompound:alogp	3.672
chemicalCompound:hba	7
chemicalCompound:hbd	1
chemicalCompound:psa	74.73
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.032
chemicalCompound:acdLogD	3.027
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	429.897
chemicalCompound:acdMostBpk...	5.318
chemicalCompound:chemblId	CHEMBL1079742
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:711647
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	ERLOTINIB HYDROCHLORIDE
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:53509
chemicalCompound:firstAppro...	2004
chemicalCompound:activity	activity:3222517, activity:3222527, activity:3222537, activity:3222547, activity:8241209, activity:8252831, activity:8305700, activity:8362244, activity:8395991, activity:8407376, activity:8510938, activity:8567473, activity:8795892, activity:8825516, activity:8899035, activity:8919702, activity:8962563, activity:9039418, activity:9063120, activity:9179669, activity:9283406, activity:9351916, activity:9425851, activity:9428477, activity:9441807, activity:9500469, activity:9679311, activity:9707764, activity:9783624, activity:9858644, activity:9887663, activity:10002694, activity:10072482, activity:10163706, activity:10208576, activity:10245791, activity:10315975, activity:10322031, activity:10364313, activity:10434279, activity:10436650, activity:10489716, activity:10587022, activity:10667370, activity:10695902, activity:10789010