936239

Source:http://linkedlifedata.com/resource/chembl/compound/936239

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:42426
chemicalCompound:standardIn...	InChI=1S/C15H10O7.H2O/c16-6-1-2-8(9(18)3-6)15-14(21)13(20)12-10(19)4-7(17)5-11(12)22-15;/h1-5,16-19,21H;1H2
chemicalCompound:standardIn...	MYUBTSPIIFYCIU-UHFFFAOYSA-N
chemicalCompound:canonicalS...	O.OC1=C(Oc2cc(O)cc(O)c2C1=O)c3ccc(O)cc3O
chemicalCompound:molecularF...	C15H12O8
chemicalCompound:moleculeId	936239
chemicalCompound:mwFreebase	302.236
chemicalCompound:alogp	1.63
chemicalCompound:hba	7
chemicalCompound:hbd	5
chemicalCompound:psa	127.45
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	6.296
chemicalCompound:acdLogP	2.704
chemicalCompound:acdLogD	1.313
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	320.251
chemicalCompound:chemblId	CHEMBL1512355
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1036239
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:3996287, activity:6445292, activity:6469778, activity:6558752, activity:6580964, activity:7022388, activity:7044985, activity:7059123, activity:7550020