75901

Source:http://linkedlifedata.com/resource/chembl/compound/75901

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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:75901_Gemcitabine_BAN, synonym:75901_Gemcitabine_FDA_ALTERNATIVE_NAME, synonym:75901_Gemcitabine_INN, synonym:75901_Gemcitabine_USAN, synonym:75901_Gemzar_OTHER, synonym:75901_Gemzar_TRADE_NAME, synonym:75901_LY-188011_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C9H11F2N3O4/c10-9(11)6(16)4(3-15)18-7(9)14-2-1-5(12)13-8(14)17/h1-2,4,6-7,15-16H,3H2,(H2,12,13,17)/t4-,6-,7-/m1/s1
chemicalCompound:standardIn...	SDUQYLNIPVEERB-QPPQHZFASA-N
chemicalCompound:canonicalS...	NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO)[C@@H](O)C2(F)F
chemicalCompound:molecularF...	C9H11F2N3O4
chemicalCompound:moleculeId	75901
chemicalCompound:mwFreebase	263.198
chemicalCompound:alogp	-1.394
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	108.38
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	11.649
chemicalCompound:acdLogP	-2.216
chemicalCompound:acdLogD	-2.216
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	263.198
chemicalCompound:acdMostBpk...	4.263
chemicalCompound:chemblId	CHEMBL888
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:175901
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	Yes
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	Yes
chemicalCompound:proDrug	No
chemicalCompound:prefName	GEMCITABINE
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:175901
chemicalCompound:firstAppro...	1996
chemicalCompound:activity	activity:117200, activity:117201, activity:117202, activity:117203, activity:141842, activity:141843, activity:141844, activity:141845, activity:141846, activity:141847, activity:141848, activity:141849, activity:141850, activity:141851, activity:141852, activity:141853, activity:141854, activity:141855, activity:1263236, activity:1263237, activity:1263238, activity:1263239, activity:1263240, activity:1263241, activity:1263242, activity:1263243, activity:1263244, activity:1263245, activity:1515095, activity:1515096, activity:1515197, activity:1515198, activity:1515199, activity:1733237, activity:1835598, activity:1835663, activity:1836556, activity:1854890, activity:1858998, activity:1910579, activity:1910580, activity:1910581, activity:1910582, activity:1910583, activity:1910584, activity:1910585, activity:1910586, activity:1910587, activity:1910588, activity:1910589, activity:1910590, activity:1910591, activity:1910592, activity:1910593, activity:1910594, activity:1989368