92849

Source:http://linkedlifedata.com/resource/chembl/compound/92849

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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/C23H24O5/c24-15-7-8-17-13-14-20(27-22(25)18-9-3-1-4-10-18)21(16-17)28-23(26)19-11-5-2-6-12-19/h1-12,17,20-21,24H,13-16H2/b8-7+/t17-,20?,21?/m0/s1
chemicalCompound:standardIn...	CQGUEEFSWPPXED-KAPLJFBBSA-N
chemicalCompound:canonicalS...	OC\C=C\[C@H]1CCC(OC(=O)c2ccccc2)C(C1)OC(=O)c3ccccc3
chemicalCompound:molecularF...	C23 H24 O5
chemicalCompound:moleculeId	92849
chemicalCompound:mwFreebase	380.434
chemicalCompound:alogp	4.249
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	72.83
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.782
chemicalCompound:acdLogD	4.782
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	380.434
chemicalCompound:chemblId	CHEMBL294299
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:192849
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:76090, activity:87873