776492

Source:http://linkedlifedata.com/resource/chembl/compound/776492

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C20H21NO7/c1-25-14-7-5-12(6-8-14)15(22)11-16(23)20(24)21-13-9-17(26-2)19(28-4)18(10-13)27-3/h5-10H,11H2,1-4H3,(H,21,24)
chemicalCompound:standardIn...	WRAUSDHMKMPGOK-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccc(cc1)C(=O)CC(=O)C(=O)Nc2cc(OC)c(OC)c(OC)c2
chemicalCompound:molecularF...	C20H21NO7
chemicalCompound:moleculeId	776492
chemicalCompound:mwFreebase	387.383
chemicalCompound:alogp	2.345
chemicalCompound:hba	7
chemicalCompound:hbd	1
chemicalCompound:psa	100.16
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	6.456
chemicalCompound:acdLogP	1.749
chemicalCompound:acdLogD	0
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	387.383
chemicalCompound:acdMostBpk...	0.472
chemicalCompound:chemblId	CHEMBL1352608
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:876492
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:4102462, activity:4658645, activity:4996350, activity:5507205, activity:5779896, activity:6707240, activity:10461698