178415

Source:http://linkedlifedata.com/resource/chembl/compound/178415

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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/C14H10O8/c15-9(5-11(17)13(19)20)7-2-1-3-8(4-7)10(16)6-12(18)14(21)22/h1-6,15-16H,(H,19,20)(H,21,22)/b9-5-,10-6-
chemicalCompound:standardIn...	CHOSQOFQIWKJAT-OZDSWYPASA-N
chemicalCompound:canonicalS...	OC(=O)C(=O)\C=C(/O)\c1cccc(c1)\C(=C\C(=O)C(=O)O)\O
chemicalCompound:molecularF...	C14 H10 O8
chemicalCompound:moleculeId	178415
chemicalCompound:mwFreebase	306.224
chemicalCompound:alogp	0.702
chemicalCompound:hba	8
chemicalCompound:hbd	4
chemicalCompound:psa	149.19
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	1.427
chemicalCompound:acdLogP	-1.686
chemicalCompound:acdLogD	-6.498
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	306.224
chemicalCompound:chemblId	CHEMBL108511
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:278415
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:603297, activity:603298, activity:603299, activity:603300, activity:1610631