97687

Source:http://linkedlifedata.com/resource/chembl/compound/97687

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:27812
chemicalCompound:standardIn...	InChI=1S/C7H16NO2.HI/c1-7(9)10-6-5-8(2,3)4;/h5-6H2,1-4H3;1H/q+1;/p-1
chemicalCompound:standardIn...	SMBBQHHYSLHDHF-UHFFFAOYSA-M
chemicalCompound:canonicalS...	[I-].CC(=O)OCC[N+](C)(C)C
chemicalCompound:molecularF...	C7 H16 N O2 . I
chemicalCompound:moleculeId	97687
chemicalCompound:mwFreebase	146.207
chemicalCompound:alogp	-1.195
chemicalCompound:hba	0
chemicalCompound:hbd	4
chemicalCompound:psa	26.3
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	-3.404
chemicalCompound:acdLogD	-3.404
chemicalCompound:fullMwt	273.112
chemicalCompound:chemblId	CHEMBL60457
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:197687
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	ACETYLCHOLINE IODIDE
chemicalCompound:activity	activity:192481, activity:192482