200745

Source:http://linkedlifedata.com/resource/chembl/compound/200745

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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/C27H29NO4/c1-30-22-15-13-21(14-16-22)28-26(20-12-17-24(31-2)25(18-20)32-3)23(27(28)29)11-7-10-19-8-5-4-6-9-19/h4-6,8-9,12-18,23,26H,7,10-11H2,1-3H3/t23-,26+/m0/s1
chemicalCompound:standardIn...	UOAGRQSXJQWOLW-JYFHCDHNSA-N
chemicalCompound:canonicalS...	COc1ccc(cc1)N2[C@@H]([C@H](CCCc3ccccc3)C2=O)c4ccc(OC)c(OC)c4
chemicalCompound:molecularF...	C27 H29 N O4
chemicalCompound:moleculeId	200745
chemicalCompound:mwFreebase	431.523
chemicalCompound:alogp	5.516
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	48
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	5.644
chemicalCompound:acdLogD	5.644
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	431.523
chemicalCompound:acdMostBpk...	0.081
chemicalCompound:chemblId	CHEMBL332319
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:300745
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:1185534, activity:1185535, activity:1185536