498783

Source:http://linkedlifedata.com/resource/chembl/compound/498783

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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/C20H24O3/c1-20-7-6-15-14-5-3-13(21)8-11(14)2-4-16(15)17(20)9-12-10-18(22)23-19(12)20/h3,5,8,12,15-17,19,21H,2,4,6-7,9-10H2,1H3/t12-,15-,16-,17+,19+,20+/m1/s1
chemicalCompound:standardIn...	FKUBBKBYUHOFTK-MGXMICMRSA-N
chemicalCompound:canonicalS...	C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1C[C@@H]5CC(=O)O[C@H]25
chemicalCompound:molecularF...	C20H24O3
chemicalCompound:moleculeId	498783
chemicalCompound:mwFreebase	312.403
chemicalCompound:alogp	3.919
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	46.53
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.265
chemicalCompound:acdLogP	3.884
chemicalCompound:acdLogD	3.883
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	312.403
chemicalCompound:chemblId	CHEMBL477879
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:598783
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:2403606, activity:2403633