14785

Source:http://linkedlifedata.com/resource/chembl/compound/14785

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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:14785_Erlotinib_FDA_ALTERNATIVE_NAME, synonym:14785_Erlotinib_INN, synonym:14785_Tarceva_TRADE_NAME
chemicalCompound:standardIn...	InChI=1S/C22H23N3O4/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)
chemicalCompound:standardIn...	AAKJLRGGTJKAMG-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
chemicalCompound:molecularF...	C22H23N3O4
chemicalCompound:moleculeId	14785
chemicalCompound:mwFreebase	393.436
chemicalCompound:alogp	4.309
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	393.436
chemicalCompound:acdMostBpk...	5.318
chemicalCompound:chemblId	CHEMBL553
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:114785
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
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:114785
chemicalCompound:firstAppro...	2004
chemicalCompound:activity	activity:129395, activity:129396, activity:129397, activity:129398, activity:129399, activity:186628, activity:186629, activity:1651079, activity:1651090, activity:1651101, activity:1651112, activity:1651123, activity:1651134, activity:1651145, activity:1651156, activity:1651167, activity:1651178, activity:1651189, activity:1651200, activity:1651211, activity:1651222, activity:1651233, activity:1651244, activity:1651255, activity:1651266, activity:1651277, activity:1651288, activity:1651299, activity:1651310, activity:1651321, activity:1651332, activity:1651343, activity:1651354, activity:1651365, activity:1651376, activity:1651387, activity:1651398, activity:1651409, activity:1651420, activity:1651431, activity:1651442, activity:1651453, activity:1651464, activity:1651475, activity:1651486, activity:1651497, activity:1651508, activity:1651519, activity:1651530, activity:1651541, activity:1651552, activity:1651563, activity:1651574, activity:1651585, activity:1651596, activity:1651607, activity:1651618, activity:1651629, activity:1651640, activity:1651651, activity:1651662