9245

Source:http://linkedlifedata.com/resource/chembl/compound/9245

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
chemicalCompound:standardIn...	InChI=1S/C14H21NO2/c1-2-7-15-8-3-4-12(10-15)11-5-6-13(16)14(17)9-11/h5-6,9,12,16-17H,2-4,7-8,10H2,1H3
chemicalCompound:standardIn...	JBPMHBLMULBWFU-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCN1CCCC(C1)c2ccc(O)c(O)c2
chemicalCompound:molecularF...	C14 H21 N O2
chemicalCompound:moleculeId	9245
chemicalCompound:mwFreebase	235.322
chemicalCompound:alogp	2.977
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	43.7
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.791
chemicalCompound:acdLogP	2.086
chemicalCompound:acdLogD	0.129
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	235.322
chemicalCompound:acdMostBpk...	9.402
chemicalCompound:chemblId	CHEMBL11536
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:109245
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No