276522

Source:http://linkedlifedata.com/resource/chembl/compound/276522

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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/C24H29BrN2O5/c1-15(28)32-23-18(16-6-8-17(30-4)9-7-16)14-19-21(11-10-20(25)22(19)31-5)27(24(23)29)13-12-26(2)3/h6-11,18,23H,12-14H2,1-5H3/t18-,23+/m0/s1
chemicalCompound:standardIn...	SWYMEYHNHCWMGX-FDDCHVKYSA-N
chemicalCompound:canonicalS...	COc1ccc(cc1)[C@@H]2Cc3c(OC)c(Br)ccc3N(CCN(C)C)C(=O)[C@@H]2OC(=O)C
chemicalCompound:molecularF...	C24 H29 Br N2 O5
chemicalCompound:moleculeId	276522
chemicalCompound:mwFreebase	505.401
chemicalCompound:alogp	3.735
chemicalCompound:hba	6
chemicalCompound:hbd	0
chemicalCompound:psa	68.31
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.299
chemicalCompound:acdLogD	2.762
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	505.401
chemicalCompound:acdMostBpk...	8.937
chemicalCompound:chemblId	CHEMBL353757
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:376522
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:652786, activity:652787, activity:652788, activity:652789, activity:652790, activity:652791