287914

Source:http://linkedlifedata.com/resource/chembl/compound/287914

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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/c1-2-18-14-6-7-15-13(12-14)8-11-16(17-15)9-4-3-5-10-16/h6-8,11-12,17H,2-5,9-10H2,1H3
chemicalCompound:standardIn...	MKWBZCHWGSOVOD-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCOc1ccc2NC3(CCCCC3)C=Cc2c1
chemicalCompound:molecularF...	C16 H21 N O
chemicalCompound:moleculeId	287914
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	4.752
chemicalCompound:acdLogD	4.72
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	243.344
chemicalCompound:acdMostBpk...	6.286
chemicalCompound:chemblId	CHEMBL172887
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:387914
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:374166, activity:374167, activity:374168, activity:374169, activity:374170, activity:374171