575211

Source:http://linkedlifedata.com/resource/chembl/compound/575211

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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/C20H18O3/c21-18-16-11-10-14-8-4-5-9-15(14)19(16)23-20(22)17(18)12-13-6-2-1-3-7-13/h1-3,6-7,10-11,21H,4-5,8-9,12H2
chemicalCompound:standardIn...	AGXYLUCTDKGDGR-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OC1=C(Cc2ccccc2)C(=O)Oc3c4CCCCc4ccc13
chemicalCompound:molecularF...	C20H18O3
chemicalCompound:moleculeId	575211
chemicalCompound:mwFreebase	306.355
chemicalCompound:alogp	4.81
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	46.53
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.5
chemicalCompound:acdLogP	5.612
chemicalCompound:acdLogD	2.809
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	306.355
chemicalCompound:chemblId	CHEMBL576081
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:675211
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:2939814, activity:2939843, activity:2939865, activity:2939880, activity:2939895, activity:2940550