1058787

Source:http://linkedlifedata.com/resource/chembl/compound/1058787

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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/C16H12O/c17-16-8-4-7-14-11-13(9-10-15(14)16)12-5-2-1-3-6-12/h1-11,17H
chemicalCompound:standardIn...	ZEVUCTYUPCFZBA-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Oc1cccc2cc(ccc12)c3ccccc3
chemicalCompound:molecularF...	C16H12O
chemicalCompound:moleculeId	1058787
chemicalCompound:mwFreebase	220.266
chemicalCompound:alogp	4.014
chemicalCompound:hba	1
chemicalCompound:hbd	1
chemicalCompound:psa	20.23
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.328
chemicalCompound:acdLogP	4.639
chemicalCompound:acdLogD	4.634
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	220.266
chemicalCompound:chemblId	CHEMBL1644031
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1158787
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:5133132, activity:5133182