480382

Source:http://linkedlifedata.com/resource/chembl/compound/480382

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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:75901
chemicalCompound:synonym	synonym:480382_Gemcitabine Hydrochloride_USAN, synonym:480382_Gemcitabine hydrochloride_FDA_ALTERNATIVE_NAME, synonym:480382_Gemzar_OTHER, synonym:480382_Gemzar_TRADE_NAME, synonym:480382_LY-188011_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C9H11F2N3O4.ClH/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);1H/t4-,6-,7-;/m1./s1
chemicalCompound:standardIn...	OKKDEIYWILRZIA-OSZBKLCCSA-N
chemicalCompound:canonicalS...	Cl.NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO)[C@@H](O)C2(F)F
chemicalCompound:molecularF...	C9H12ClF2N3O4
chemicalCompound:moleculeId	480382
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	299.659
chemicalCompound:acdMostBpk...	4.263
chemicalCompound:chemblId	CHEMBL1637
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:580382
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 HYDROCHLORIDE
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:31647
chemicalCompound:firstAppro...	1996
chemicalCompound:activity	activity:579659, activity:579660, activity:579661, activity:579662, activity:2638104, activity:2933274, activity:2933279, activity:3336784