495553

Source:http://linkedlifedata.com/resource/chembl/compound/495553

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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/C28H34O4/c1-21(16-17-24-13-8-9-19-28(24,4)5)11-10-12-22(2)18-20-31-27(30)25-14-6-7-15-26(25)32-23(3)29/h6-7,10-18H,8-9,19-20H2,1-5H3/b12-10+,17-16+,21-11+,22-18+
chemicalCompound:standardIn...	GHDILACTWZHSDP-LIIJMUGKSA-N
chemicalCompound:canonicalS...	CC(=O)Oc1ccccc1C(=O)OC\C=C(/C)\C=C\C=C(/C)\C=C\C2=CCCCC2(C)C
chemicalCompound:molecularF...	C28H34O4
chemicalCompound:moleculeId	495553
chemicalCompound:mwFreebase	434.567
chemicalCompound:alogp	6.681
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	52.6
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	7.983
chemicalCompound:acdLogD	7.983
chemicalCompound:fullMwt	434.567
chemicalCompound:chemblId	CHEMBL456686
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:595553
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:2618487, activity:2618499, activity:2618579