288032

Source:http://linkedlifedata.com/resource/chembl/compound/288032

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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/C16H21NO/c1-2-18-14-8-6-7-13-9-12-16(17-15(13)14)10-4-3-5-11-16/h6-9,12,17H,2-5,10-11H2,1H3
chemicalCompound:standardIn...	MZRHQAPBCZRGAS-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCOc1cccc2C=CC3(CCCCC3)Nc12
chemicalCompound:molecularF...	C16 H21 N O
chemicalCompound:moleculeId	288032
chemicalCompound:mwFreebase	243.344
chemicalCompound:alogp	3.906
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	21.26
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.861
chemicalCompound:acdLogD	4.858
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	243.344
chemicalCompound:acdMostBpk...	5.274
chemicalCompound:chemblId	CHEMBL174372
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:388032
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:352757, activity:352758, activity:352759, activity:352760, activity:352761, activity:352762