573971

Source:http://linkedlifedata.com/resource/chembl/compound/573971

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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/C34H50BrN5O7/c1-23(2)27(29(41)36-18-20-46-6)37-31(43)34(45,21-24-11-9-8-10-12-24)17-19-40(22-25-13-15-26(35)16-14-25)39-30(42)28(33(3,4)5)38-32(44)47-7/h8-16,23,27-28,45H,17-22H2,1-7H3,(H,36,41)(H,37,43)(H,38,44)(H,39,42)/t27-,28+,34-/m0/s1
chemicalCompound:standardIn...	ZLRZAKQLKHYLOI-FPQPQGOJSA-N
chemicalCompound:canonicalS...	COCCNC(=O)[C@@H](NC(=O)[C@](O)(CCN(Cc1ccc(Br)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)Cc2ccccc2)C(C)C
chemicalCompound:molecularF...	C34H50BrN5O7
chemicalCompound:moleculeId	573971
chemicalCompound:mwFreebase	720.694
chemicalCompound:alogp	3.565
chemicalCompound:hba	8
chemicalCompound:hbd	5
chemicalCompound:psa	158.32
chemicalCompound:rtb	19
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.115
chemicalCompound:acdLogP	4.628
chemicalCompound:acdLogD	4.627
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	720.694
chemicalCompound:acdMostBpk...	1.574
chemicalCompound:chemblId	CHEMBL583567
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:673971
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:2945419, activity:2945452, activity:2945482