523534

Source:http://linkedlifedata.com/resource/chembl/compound/523534

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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/C32H31NO3/c1-23-11-9-10-16-29(23)33-30(24-17-19-27(36-2)20-18-24)28(31(33)34)21-22-32(35,25-12-5-3-6-13-25)26-14-7-4-8-15-26/h3-20,28,30,35H,21-22H2,1-2H3/t28-,30-/m1/s1
chemicalCompound:standardIn...	AUAAPWHFBZIALR-PQHLKRTFSA-N
chemicalCompound:canonicalS...	COc1ccc(cc1)[C@H]2[C@@H](CCC(O)(c3ccccc3)c4ccccc4)C(=O)N2c5ccccc5C
chemicalCompound:molecularF...	C32H31NO3
chemicalCompound:moleculeId	523534
chemicalCompound:mwFreebase	477.593
chemicalCompound:alogp	6.373
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	49.77
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.405
chemicalCompound:acdLogP	5.999
chemicalCompound:acdLogD	5.999
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	477.593
chemicalCompound:acdMostBpk...	0.277
chemicalCompound:chemblId	CHEMBL486925
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:623534
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:2290452, activity:2290453