45656

Source:http://linkedlifedata.com/resource/chembl/compound/45656

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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/C15H12O4/c16-15(17)8-10-5-6-12-11(7-10)9-18-13-3-1-2-4-14(13)19-12/h1-7H,8-9H2,(H,16,17)
chemicalCompound:standardIn...	UCLQILVHNXYKJH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OC(=O)Cc1ccc2Oc3ccccc3OCc2c1
chemicalCompound:molecularF...	C15 H12 O4
chemicalCompound:moleculeId	45656
chemicalCompound:mwFreebase	256.253
chemicalCompound:alogp	2.791
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	55.76
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.276
chemicalCompound:acdLogP	1.542
chemicalCompound:acdLogD	-1.491
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	256.253
chemicalCompound:chemblId	CHEMBL33378
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:145656
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:1251258, activity:1251259, activity:1251260, activity:1251261, activity:1251262