365025

Source:http://linkedlifedata.com/resource/chembl/compound/365025

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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/C18H22O5/c1-20-15-9-12(7-8-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h7-11,19H,5-6H2,1-4H3
chemicalCompound:standardIn...	NRAJPMHEOBLUQC-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cc(CCc2cc(OC)c(OC)c(OC)c2)ccc1O
chemicalCompound:molecularF...	C18 H22 O5
chemicalCompound:moleculeId	365025
chemicalCompound:mwFreebase	318.364
chemicalCompound:alogp	3.953
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	57.15
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.1
chemicalCompound:acdLogP	2.913
chemicalCompound:acdLogD	2.913
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	318.364
chemicalCompound:chemblId	CHEMBL216091
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:465025
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:1797990, activity:1797998, activity:1798009