242

Source:http://linkedlifedata.com/resource/chembl/compound/242

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C11H13N/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-6,12H,7-9H2
chemicalCompound:standardIn...	OMPXTQYWYRWWPH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	C1CC(=CCN1)c2ccccc2
chemicalCompound:molecularF...	C11H13N
chemicalCompound:moleculeId	242
chemicalCompound:mwFreebase	159.228
chemicalCompound:alogp	1.87
chemicalCompound:hba	1
chemicalCompound:hbd	1
chemicalCompound:psa	12.03
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.613
chemicalCompound:acdLogD	0.635
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	159.228
chemicalCompound:acdMostBpk...	9.408
chemicalCompound:chemblId	CHEMBL6224
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100242
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:activity	activity:376595, activity:376596, activity:757034, activity:757035, activity:954926, activity:978735, activity:1251294, activity:1251295, activity:1251296, activity:1251297, activity:1251298, activity:2334038, activity:2334044