4376

Source:http://linkedlifedata.com/resource/chembl/compound/4376

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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/C20H24O4/c1-2-3-4-12-19(21)15-9-7-10-17(13-15)24-14-16-8-5-6-11-18(16)20(22)23/h5-11,13,19,21H,2-4,12,14H2,1H3,(H,22,23)
chemicalCompound:standardIn...	RLKHKCMYNCZWET-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCCC(O)c1cccc(OCc2ccccc2C(=O)O)c1
chemicalCompound:molecularF...	C20 H24 O4
chemicalCompound:moleculeId	4376
chemicalCompound:mwFreebase	328.402
chemicalCompound:alogp	4.692
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	66.76
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.821
chemicalCompound:acdLogP	4.013
chemicalCompound:acdLogD	1
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	328.402
chemicalCompound:chemblId	CHEMBL9001
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:104376
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:437990, activity:437991