60401

Source:http://linkedlifedata.com/resource/chembl/compound/60401

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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:60401_Aredia_TRADE_NAME, synonym:60401_CGP-23339AE_RESEARCH_CODE, synonym:60401_Pamidronate_FDA_ALTERNATIVE_NAME, synonym:60401_Pamidronic Acid_BAN, synonym:60401_Pamidronic Acid_INN, synonym:60401_Pamidronic Acid_USAN
chemicalCompound:standardIn...	InChI=1S/C3H11NO7P2/c4-2-1-3(5,12(6,7)8)13(9,10)11/h5H,1-2,4H2,(H2,6,7,8)(H2,9,10,11)
chemicalCompound:standardIn...	WRUUGTRCQOWXEG-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NCCC(O)(P(=O)(O)O)P(=O)(O)O
chemicalCompound:molecularF...	C3H11NO7P2
chemicalCompound:moleculeId	60401
chemicalCompound:mwFreebase	235.069
chemicalCompound:alogp	-2.068
chemicalCompound:hba	8
chemicalCompound:hbd	6
chemicalCompound:psa	180.93
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	1.439
chemicalCompound:acdLogP	-0.894
chemicalCompound:acdLogD	-5.357
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	235.069
chemicalCompound:acdMostBpk...	8.927
chemicalCompound:chemblId	CHEMBL834
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:160401
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	Yes
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	PAMIDRONIC ACID
chemicalCompound:firstAppro...	1991
chemicalCompound:activity	activity:503192, activity:503193, activity:503194, activity:503195, activity:746850, activity:746851, activity:746852, activity:746853, activity:778322, activity:778323, activity:778324, activity:778325, activity:784929, activity:784930, activity:784931, activity:784932, activity:784933, activity:824671, activity:824672, activity:824673, activity:824674, activity:824675, activity:824676, activity:824677, activity:824678, activity:824679, activity:824680, activity:824681, activity:824682, activity:873679, activity:873680, activity:900262, activity:900263, activity:1070863, activity:1089167, activity:1089168, activity:1089169, activity:1095705, activity:1095706, activity:1095707, activity:1095708, activity:1095709, activity:1095710, activity:1095711, activity:1095712, activity:1303688, activity:1445986, activity:1504370, activity:1504371, activity:1504372, activity:1505835, activity:1505836, activity:1505837, activity:1505838, activity:1765358, activity:1765424, activity:1765563, activity:1771576