598447

Source:http://linkedlifedata.com/resource/chembl/compound/598447

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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:598447_Capecitabine_BAN, synonym:598447_Capecitabine_FDA_ALTERNATIVE_NAME, synonym:598447_Capecitabine_INN, synonym:598447_Capecitabine_USAN, synonym:598447_Ro-09-1978-000_RESEARCH_CODE, synonym:598447_Xeloda_OTHER, synonym:598447_Xeloda_TRADE_NAME
chemicalCompound:standardIn...	InChI=1S/C15H22FN3O6/c1-3-4-5-6-24-15(23)18-12-9(16)7-19(14(22)17-12)13-11(21)10(20)8(2)25-13/h7-8,10-11,13,20-21H,3-6H2,1-2H3,(H,17,18,22,23)/t8-,10-,11-,13-/m1/s1
chemicalCompound:standardIn...	GAGWJHPBXLXJQN-UORFTKCHSA-N
chemicalCompound:canonicalS...	CCCCCOC(=O)NC1=NC(=O)N(C=C1F)[C@@H]2O[C@H](C)[C@@H](O)[C@H]2O
chemicalCompound:molecularF...	C15H22FN3O6
chemicalCompound:moleculeId	598447
chemicalCompound:mwFreebase	359.35
chemicalCompound:alogp	0.82
chemicalCompound:hba	7
chemicalCompound:hbd	3
chemicalCompound:psa	120.69
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	5.409
chemicalCompound:acdLogP	1.042
chemicalCompound:acdLogD	-0.596
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	359.35
chemicalCompound:acdMostBpk...	1.746
chemicalCompound:chemblId	CHEMBL1773
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:698447
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	Yes
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	Yes
chemicalCompound:naturalPro...	Yes
chemicalCompound:proDrug	No
chemicalCompound:prefName	CAPECITABINE
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:31348
chemicalCompound:firstAppro...	1998
chemicalCompound:activity	activity:311507, activity:311508, activity:311509, activity:311510, activity:311511, activity:311512, activity:311513, activity:311514, activity:311515, activity:311516, activity:311517, activity:311518, activity:311519, activity:311520, activity:311521, activity:311522, activity:637779, activity:637780, activity:637781, activity:637782, activity:637783, activity:637784, activity:637785, activity:2638105, activity:3134530, activity:3134570, activity:3218615, activity:3266971, activity:3336785, activity:5317164, activity:5318115, activity:5319066, activity:6074601, activity:7841844, activity:7841845, activity:7841846, activity:7841847, activity:7841848, activity:7841849, activity:7841850, activity:7841851, activity:7841852, activity:7841853, activity:7841854, activity:7841855, activity:7841856, activity:7841857