611895

Source:http://linkedlifedata.com/resource/chembl/compound/611895

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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/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,8,10H,4,6-7H2,1-3H3/t10-/m1/s1
chemicalCompound:standardIn...	NEHNMFOYXAPHSD-SNVBAGLBSA-N
chemicalCompound:canonicalS...	C[C@H](CCC=C(C)C)CC=O
chemicalCompound:molecularF...	C10H18O
chemicalCompound:moleculeId	611895
chemicalCompound:mwFreebase	154.249
chemicalCompound:alogp	3.018
chemicalCompound:hba	1
chemicalCompound:hbd	0
chemicalCompound:psa	17.07
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.297
chemicalCompound:acdLogD	3.297
chemicalCompound:fullMwt	154.249
chemicalCompound:chemblId	CHEMBL1081721
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:711895
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	CITRONELLAL
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:299
chemicalCompound:activity	activity:2313866, activity:3218681