1333

Source:http://linkedlifedata.com/resource/chembl/compound/1333

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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:1333_Bosnyl_TRADE_NAME, synonym:1333_Dogmatil_TRADE_NAME, synonym:1333_Dolmatil_TRADE_NAME, synonym:1333_Eglonyl_TRADE_NAME, synonym:1333_Espiride_TRADE_NAME, synonym:1333_Meresa_TRADE_NAME, synonym:1333_Modal_TRADE_NAME, synonym:1333_Sulpiride_INN
chemicalCompound:standardIn...	InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)
chemicalCompound:standardIn...	BGRJTUBHPOOWDU-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCN1CCCC1CNC(=O)c2cc(ccc2OC)S(=O)(=O)N
chemicalCompound:molecularF...	C15H23N3O4S
chemicalCompound:moleculeId	1333
chemicalCompound:mwFreebase	341.426
chemicalCompound:alogp	0.704
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	110.11
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.984
chemicalCompound:acdLogP	0.776
chemicalCompound:acdLogD	-1.075
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	341.426
chemicalCompound:acdMostBpk...	8.97
chemicalCompound:chemblId	CHEMBL26
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:101333
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	SULPIRIDE
chemicalCompound:activity	activity:47792, activity:47793, activity:47794, activity:75186, activity:82659, activity:82660, activity:82661, activity:82662, activity:143926, activity:143927, activity:226311, activity:226312, activity:297060, activity:297061, activity:297062, activity:310442, activity:376122, activity:376123, activity:376124, activity:407589, activity:407590, activity:407591, activity:407592, activity:588626, activity:588627, activity:690086, activity:707228, activity:707229, activity:707230, activity:707510, activity:765898, activity:765899, activity:765900, activity:765901, activity:871513, activity:871514, activity:871515, activity:894207, activity:894208, activity:894209, activity:894210, activity:929218, activity:929219, activity:929220, activity:929221, activity:929222, activity:929223, activity:929224, activity:929225, activity:948721, activity:948722, activity:948723, activity:1002252, activity:1153758, activity:1174222, activity:1174223, activity:1197983