419598

Source:http://linkedlifedata.com/resource/chembl/compound/419598

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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:419598_BY-1023_RESEARCH_CODE, synonym:419598_Pantoprazole_BAN, synonym:419598_Pantoprazole_FDA_ALTERNATIVE_NAME, synonym:419598_Pantoprazole_INN, synonym:419598_Pantoprazole_USAN, synonym:419598_Protonix_OTHER, synonym:419598_Protonix_TRADE_NAME, synonym:419598_SK&F-96022_RESEARCH_CODE, synonym:419598_SK-96022_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C16H15F2N3O4S/c1-23-13-5-6-19-12(14(13)24-2)8-26(22)16-20-10-4-3-9(25-15(17)18)7-11(10)21-16/h3-7,15H,8H2,1-2H3,(H,20,21)
chemicalCompound:standardIn...	IQPSEEYGBUAQFF-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccnc(C[S+]([O-])c2nc3ccc(OC(F)F)cc3[nH]2)c1OC
chemicalCompound:molecularF...	C16H15F2N3O4S
chemicalCompound:moleculeId	419598
chemicalCompound:mwFreebase	383.37
chemicalCompound:alogp	3.055
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	105.54
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	6.012
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	383.37
chemicalCompound:acdMostBpk...	0.816
chemicalCompound:chemblId	CHEMBL1502
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:519598
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	Yes
chemicalCompound:parenteral	Yes
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	PANTOPRAZOLE
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:7915
chemicalCompound:firstAppro...	1995
chemicalCompound:activity	activity:346510, activity:383242, activity:516843, activity:516844, activity:516845, activity:516846, activity:516847, activity:516848, activity:516849, activity:694004, activity:694005, activity:2054295, activity:2060091, activity:2672188, activity:2672189, activity:2978519, activity:2978520, activity:2979855, activity:2990401, activity:2992009, activity:2993494, activity:2994717, activity:2994873, activity:2996483, activity:3282169, activity:3282233, activity:3390337, activity:3646855, activity:3728310, activity:4024980, activity:4136719, activity:4465617, activity:4511946, activity:4549868, activity:4804122, activity:4844065, activity:5005931, activity:5070699, activity:5079518, activity:5079756, activity:5081488, activity:5081489, activity:5081624, activity:5317698, activity:5318649, activity:5319600, activity:5514540, activity:6074411, activity:6447178, activity:7738363, activity:7738364, activity:7738365, activity:7738366, activity:7738367, activity:7740408, activity:7740409