446196

Source:http://linkedlifedata.com/resource/chembl/compound/446196

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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/C8H14O/c1-2-3-4-5-6-7-8-9/h6-8H,2-5H2,1H3/b7-6+
chemicalCompound:standardIn...	LVBXEMGDVWVTGY-VOTSOKGWSA-N
chemicalCompound:canonicalS...	CCCCC\C=C\C=O
chemicalCompound:molecularF...	C8H14O
chemicalCompound:moleculeId	446196
chemicalCompound:mwFreebase	126.196
chemicalCompound:alogp	2.742
chemicalCompound:hba	1
chemicalCompound:hbd	0
chemicalCompound:psa	17.07
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	2.809
chemicalCompound:acdLogD	2.809
chemicalCompound:fullMwt	126.196
chemicalCompound:chemblId	CHEMBL448058
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:546196
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:61748
chemicalCompound:activity	activity:2531830, activity:2531831, activity:2531832, activity:2531833, activity:2531834, activity:2531835, activity:2531836, activity:2531837, activity:2531838, activity:2531839, activity:2531840, activity:2531841, activity:2531842, activity:2531843