21940

Source:http://linkedlifedata.com/resource/chembl/compound/21940

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/C8H11NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H,6,9H2
chemicalCompound:standardIn...	ULSIYEODSMZIPX-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NCC(O)c1ccccc1
chemicalCompound:molecularF...	C8 H11 N O
chemicalCompound:moleculeId	21940
chemicalCompound:mwFreebase	137.179
chemicalCompound:alogp	0.425
chemicalCompound:hba	2
chemicalCompound:hbd	2
chemicalCompound:psa	46.25
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.037
chemicalCompound:acdLogP	0.004
chemicalCompound:acdLogD	-1.617
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	137.179
chemicalCompound:acdMostBpk...	8.427
chemicalCompound:chemblId	CHEMBL19216
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:121940
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:16343
chemicalCompound:activity	activity:39243, activity:146036, activity:146037, activity:146038, activity:148425, activity:148426, activity:148427, activity:293158, activity:293159, activity:293160, activity:492853, activity:492854, activity:492855, activity:670450, activity:688132, activity:688133, activity:688134, activity:779948, activity:779949, activity:779950, activity:1163609, activity:1163610, activity:1215263, activity:1302030, activity:1302031, activity:1302032