480930

Source:http://linkedlifedata.com/resource/chembl/compound/480930

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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/C17H16O7/c1-22-11-7-10-12(17(23-2)13(11)19)14(20)15(21)16(24-10)8-3-5-9(18)6-4-8/h3-7,15-16,18-19,21H,1-2H3/t15-,16+/m0/s1
chemicalCompound:standardIn...	KVPHHJCIRFZAJU-JKSUJKDBSA-N
chemicalCompound:canonicalS...	COc1cc2O[C@@H]([C@@H](O)C(=O)c2c(OC)c1O)c3ccc(O)cc3
chemicalCompound:molecularF...	C17H16O7
chemicalCompound:moleculeId	480930
chemicalCompound:mwFreebase	332.305
chemicalCompound:alogp	1.93
chemicalCompound:hba	7
chemicalCompound:hbd	3
chemicalCompound:psa	105.45
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.477
chemicalCompound:acdLogP	1.361
chemicalCompound:acdLogD	1.355
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	332.305
chemicalCompound:chemblId	CHEMBL506959
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:580930
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:2636921, activity:2636974, activity:2636981, activity:2636988, activity:2636995