573967

Source:http://linkedlifedata.com/resource/chembl/compound/573967

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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/C33H48BrN5O6/c1-31(2,3)25(27(40)35-7)36-29(42)33(44,20-22-12-10-9-11-13-22)18-19-39(21-23-14-16-24(34)17-15-23)38-28(41)26(32(4,5)6)37-30(43)45-8/h9-17,25-26,44H,18-21H2,1-8H3,(H,35,40)(H,36,42)(H,37,43)(H,38,41)/t25-,26-,33+/m1/s1
chemicalCompound:standardIn...	AOSANDQFJSELGC-ZJDJHBDQSA-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)C
chemicalCompound:molecularF...	C33H48BrN5O6
chemicalCompound:moleculeId	573967
chemicalCompound:mwFreebase	690.668
chemicalCompound:alogp	3.97
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	4.964
chemicalCompound:acdLogD	4.963
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	690.668
chemicalCompound:acdMostBpk...	1.567
chemicalCompound:chemblId	CHEMBL574710
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:673967
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:2945415, activity:2945448, activity:2945478