1065559

Source:http://linkedlifedata.com/resource/chembl/compound/1065559

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/C25H18O9/c1-31-25(30)24-16(26)8-5-9-19(24)34-22(29)13-32-15-10-17(27)23-18(28)12-20(33-21(23)11-15)14-6-3-2-4-7-14/h2-12,26-27H,13H2,1H3
chemicalCompound:standardIn...	UHEVAKAOGKUIBB-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COC(=O)c1c(O)cccc1OC(=O)COc2cc(O)c3C(=O)C=C(Oc3c2)c4ccccc4
chemicalCompound:molecularF...	C25H18O9
chemicalCompound:moleculeId	1065559
chemicalCompound:mwFreebase	462.405
chemicalCompound:alogp	3.775
chemicalCompound:hba	9
chemicalCompound:hbd	2
chemicalCompound:psa	128.59
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	6.143
chemicalCompound:acdLogP	5.324
chemicalCompound:acdLogD	4.028
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	462.405
chemicalCompound:chemblId	CHEMBL1652307
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1165559
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:5188578, activity:5188598, activity:5188620