499830

Source:http://linkedlifedata.com/resource/chembl/compound/499830

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/C22H26O6/c1-4-25-19-12-11-16(13-20(19)26-5-2)14-22(24)28-18-10-8-7-9-17(18)15-21(23)27-6-3/h7-13H,4-6,14-15H2,1-3H3
chemicalCompound:standardIn...	IYZCUMPWXRJIGG-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCOC(=O)Cc1ccccc1OC(=O)Cc2ccc(OCC)c(OCC)c2
chemicalCompound:molecularF...	C22H26O6
chemicalCompound:moleculeId	499830
chemicalCompound:mwFreebase	386.438
chemicalCompound:alogp	4.2
chemicalCompound:hba	6
chemicalCompound:hbd	0
chemicalCompound:psa	71.06
chemicalCompound:rtb	12
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.665
chemicalCompound:acdLogD	3.665
chemicalCompound:fullMwt	386.438
chemicalCompound:chemblId	CHEMBL489214
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:599830
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:2303305, activity:2303306, activity:2303330, activity:2303331, activity:2303332, activity:2303404