134097

Source:http://linkedlifedata.com/resource/chembl/compound/134097

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/C10H9NO/c12-11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11-12H
chemicalCompound:standardIn...	CWFINLADSFPMHF-UHFFFAOYSA-N
chemicalCompound:canonicalS...	ONc1cccc2ccccc12
chemicalCompound:molecularF...	C10 H9 N O
chemicalCompound:moleculeId	134097
chemicalCompound:mwFreebase	159.185
chemicalCompound:alogp	2.518
chemicalCompound:hba	2
chemicalCompound:hbd	2
chemicalCompound:psa	32.26
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9
chemicalCompound:acdLogP	1.326
chemicalCompound:acdLogD	1.315
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	159.185
chemicalCompound:acdMostBpk...	1.073
chemicalCompound:chemblId	CHEMBL261899
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:234097
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:34871
chemicalCompound:activity	activity:240711, activity:240712, activity:240713, activity:240714, activity:240715