330411

Source:http://linkedlifedata.com/resource/chembl/compound/330411

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C12H12N2O/c1-7-4-13-5-8(1)10-3-12-11(2-9(7)10)14-6-15-12/h2-3,6-8,13H,1,4-5H2
chemicalCompound:standardIn...	UHNFCUJGZZMJNI-UHFFFAOYSA-N
chemicalCompound:canonicalS...	C1NCC2CC1c3cc4ocnc4cc23
chemicalCompound:molecularF...	C12 H12 N2 O
chemicalCompound:moleculeId	330411
chemicalCompound:mwFreebase	200.236
chemicalCompound:alogp	1.1
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	38.06
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.346
chemicalCompound:acdLogD	-0.905
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	200.236
chemicalCompound:acdMostBpk...	9.638
chemicalCompound:chemblId	CHEMBL194268
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:430411
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:1615674, activity:1615675, activity:1615676