674359

Source:http://linkedlifedata.com/resource/chembl/compound/674359

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
chemicalCompound:parent	chemicalCompound:419598
chemicalCompound:synonym	synonym:674359_Pantoprazole Sodium_USAN
chemicalCompound:standardIn...	InChI=1S/C16H14F2N3O4S.Na/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;/q-1;+1
chemicalCompound:standardIn...	YNWDKZIIWCEDEE-UHFFFAOYSA-N
chemicalCompound:canonicalS...	[Na+].COc1ccnc(CS(=O)c2nc3cc(OC(F)F)ccc3[n-]2)c1OC
chemicalCompound:molecularF...	C16H14F2N3NaO4S
chemicalCompound:moleculeId	674359
chemicalCompound:mwFreebase	383.37
chemicalCompound:alogp	2.737
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	105.54
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	7.914
chemicalCompound:acdLogP	1.571
chemicalCompound:acdLogD	1.543
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	405.352
chemicalCompound:acdMostBpk...	3.269
chemicalCompound:chemblId	CHEMBL1200408
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:774359
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 SODIUM
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:50270
chemicalCompound:firstAppro...	1995