353902

Source:http://linkedlifedata.com/resource/chembl/compound/353902

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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:14126
chemicalCompound:standardIn...	InChI=1S/C12H19N2O2.CH4O4S/c1-13(2)12(15)16-11-8-6-7-10(9-11)14(3,4)5;1-5-6(2,3)4/h6-9H,1-5H3;1H3,(H,2,3,4)/q+1;/p-1
chemicalCompound:standardIn...	OSZNNLWOYWAHSS-UHFFFAOYSA-M
chemicalCompound:canonicalS...	COS(=O)(=O)[O-].CN(C)C(=O)Oc1cccc(c1)[N+](C)(C)C
chemicalCompound:molecularF...	C13H22N2O6S
chemicalCompound:moleculeId	353902
chemicalCompound:mwFreebase	223.291
chemicalCompound:alogp	0.511
chemicalCompound:hba	0
chemicalCompound:hbd	3
chemicalCompound:psa	29.54
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	-2.088
chemicalCompound:acdLogD	-2.088
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	334.389
chemicalCompound:chemblId	CHEMBL211471
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:453902
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	NEOSTIGMINE METHYLSULFATE
chemicalCompound:activity	activity:1759433, activity:1759434, activity:1759435, activity:3313131, activity:3370594, activity:3370595, activity:3370630, activity:4718244, activity:5485149, activity:6559957, activity:7259301