573968

Source:http://linkedlifedata.com/resource/chembl/compound/573968

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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/C32H46BrN5O6/c1-21(2)25(27(39)34-6)35-29(41)32(43,19-22-11-9-8-10-12-22)17-18-38(20-23-13-15-24(33)16-14-23)37-28(40)26(31(3,4)5)36-30(42)44-7/h8-16,21,25-26,43H,17-20H2,1-7H3,(H,34,39)(H,35,41)(H,36,42)(H,37,40)/t25-,26+,32+/m0/s1
chemicalCompound:standardIn...	QPNBPPOTUPZRME-NSTRGFCRSA-N
chemicalCompound:canonicalS...	CNC(=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...	C32H46BrN5O6
chemicalCompound:moleculeId	573968
chemicalCompound:mwFreebase	676.642
chemicalCompound:alogp	3.696
chemicalCompound:hba	7
chemicalCompound:hbd	5
chemicalCompound:psa	149.1
chemicalCompound:rtb	16
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.115
chemicalCompound:acdLogP	4.553
chemicalCompound:acdLogD	4.552
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	676.642
chemicalCompound:acdMostBpk...	1.565
chemicalCompound:chemblId	CHEMBL574743
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:673968
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:2945416, activity:2945449, activity:2945479