960977

Source:http://linkedlifedata.com/resource/chembl/compound/960977

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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/C20H20O5/c1-11(2)3-8-14-15(22)9-18-19(20(14)24)16(23)10-17(25-18)12-4-6-13(21)7-5-12/h3-7,9,17,21-22,24H,8,10H2,1-2H3
chemicalCompound:standardIn...	YHWNASRGLKJRJJ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(=CCc1c(O)cc2OC(CC(=O)c2c1O)c3ccc(O)cc3)C
chemicalCompound:molecularF...	C20H20O5
chemicalCompound:moleculeId	960977
chemicalCompound:mwFreebase	340.37
chemicalCompound:alogp	4.23
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	86.99
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.063
chemicalCompound:acdLogP	3.868
chemicalCompound:acdLogD	3.714
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	340.37
chemicalCompound:chemblId	CHEMBL1537093
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1060977
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:3636218, activity:3766465, activity:3770765, activity:3943367, activity:4210092, activity:4437251, activity:4501599, activity:4701320, activity:4851301, activity:4859759, activity:4916685, activity:4925450, activity:4990523, activity:5336770, activity:5365067, activity:5400119, activity:5514680, activity:5593083, activity:5958718, activity:6682606, activity:7030294, activity:7261893, activity:7414863