154061

Source:http://linkedlifedata.com/resource/chembl/compound/154061

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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/C9H11FN2O/c10-7-3-9(5-11-4-7)13-6-8-1-2-12-8/h3-5,8,12H,1-2,6H2/t8-/m0/s1
chemicalCompound:standardIn...	OOOZWMGIROYQGT-QMMMGPOBSA-N
chemicalCompound:canonicalS...	Fc1cncc(OC[C@@H]2CCN2)c1
chemicalCompound:molecularF...	C9 H11 F N2 O
chemicalCompound:moleculeId	154061
chemicalCompound:mwFreebase	182.195
chemicalCompound:alogp	0.381
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	34.15
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	0.32
chemicalCompound:acdLogD	-2.176
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	182.195
chemicalCompound:acdMostBpk...	10.037
chemicalCompound:chemblId	CHEMBL96527
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:254061
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:91850, activity:1214077, activity:1214078