446199

Source:http://linkedlifedata.com/resource/chembl/compound/446199

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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/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h9-11H,2-8H2,1H3/b10-9+
chemicalCompound:standardIn...	PANBRUWVURLWGY-MDZDMXLPSA-N
chemicalCompound:canonicalS...	CCCCCCCC\C=C\C=O
chemicalCompound:molecularF...	C11H20O
chemicalCompound:moleculeId	446199
chemicalCompound:mwFreebase	168.276
chemicalCompound:alogp	4.11
chemicalCompound:hba	1
chemicalCompound:hbd	0
chemicalCompound:psa	17.07
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	4.338
chemicalCompound:acdLogD	4.338
chemicalCompound:fullMwt	168.276
chemicalCompound:chemblId	CHEMBL451328
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:546199
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:2531872, activity:2531873, activity:2531874, activity:2531875, activity:2531876, activity:2531877, activity:2531878, activity:2531879, activity:2531880, activity:2531881, activity:2531882, activity:2531883, activity:2531884, activity:2531885