445025

Source:http://linkedlifedata.com/resource/chembl/compound/445025

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:445025_Terpineol_OTHER
chemicalCompound:standardIn...	InChI=1S/C10H18O/c1-8(2)10(11)6-4-9(3)5-7-10/h4,8,11H,5-7H2,1-3H3
chemicalCompound:standardIn...	WRYLYDPHFGVWKC-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)C1(O)CCC(=CC1)C
chemicalCompound:molecularF...	C10H18O
chemicalCompound:moleculeId	445025
chemicalCompound:mwFreebase	154.249
chemicalCompound:alogp	2.55
chemicalCompound:hba	1
chemicalCompound:hbd	1
chemicalCompound:psa	20.23
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.538
chemicalCompound:acdLogD	2.538
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	154.249
chemicalCompound:chemblId	CHEMBL507795
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:545025
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	TERPINEOL
chemicalCompound:activity	activity:2308836, activity:2310142, activity:2310148, activity:2310156, activity:2310163, activity:2310167, activity:2310179, activity:2310192, activity:2310225, activity:2310276, activity:2310286, activity:2310291, activity:2310294, activity:2315677, activity:2315689, activity:2315701, activity:2315713, activity:2315725, activity:2315735, activity:2437877, activity:5161184, activity:5161185, activity:5161241, activity:5161242, activity:7564403