622522

Source:http://linkedlifedata.com/resource/chembl/compound/622522

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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/C20H22O4/c1-12(2)8-9-15-18(22)17-14(6-5-7-16(17)21)19(23)20(15)24-11-10-13(3)4/h5-8,10,21H,9,11H2,1-4H3
chemicalCompound:standardIn...	AQDMUZVCQLLEDM-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(=CCOC1=C(CC=C(C)C)C(=O)c2c(O)cccc2C1=O)C
chemicalCompound:molecularF...	C20H22O4
chemicalCompound:moleculeId	622522
chemicalCompound:mwFreebase	326.386
chemicalCompound:alogp	4.486
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	63.6
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	6.467
chemicalCompound:acdLogP	4.589
chemicalCompound:acdLogD	3.611
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	326.386
chemicalCompound:chemblId	CHEMBL1090101
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:722522
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:3249373, activity:3249401, activity:3249429, activity:3249457, activity:3249485, activity:3249513