418305

Source:http://linkedlifedata.com/resource/chembl/compound/418305

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/C8H11N/c1-6-3-4-7(2)8(9)5-6/h3-5H,9H2,1-2H3
chemicalCompound:standardIn...	VOWZNBNDMFLQGM-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1ccc(C)c(N)c1
chemicalCompound:molecularF...	C8H11N
chemicalCompound:moleculeId	418305
chemicalCompound:mwFreebase	121.18
chemicalCompound:alogp	2.055
chemicalCompound:hba	1
chemicalCompound:hbd	1
chemicalCompound:psa	26.02
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.779
chemicalCompound:acdLogD	1.778
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	121.18
chemicalCompound:acdMostBpk...	4.575
chemicalCompound:chemblId	CHEMBL249120
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:518305
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	2,5-XYLIDINE
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:518305
chemicalCompound:activity	activity:2030921, activity:2030939, activity:3929458, activity:4057204, activity:4157033, activity:5489674, activity:6503757, activity:6624793, activity:7027689