573953

Source:http://linkedlifedata.com/resource/chembl/compound/573953

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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/C35H43BrN4O6/c1-34(2,3)30(38-33(44)46-4)31(42)39-40(22-24-14-16-26(36)17-15-24)19-18-35(45,21-23-10-6-5-7-11-23)32(43)37-29-27-13-9-8-12-25(27)20-28(29)41/h5-17,28-30,41,45H,18-22H2,1-4H3,(H,37,43)(H,38,44)(H,39,42)/t28-,29+,30-,35-/m1/s1
chemicalCompound:standardIn...	YIGWEZGHVPDQGX-IRYJCKHSSA-N
chemicalCompound:canonicalS...	COC(=O)N[C@H](C(=O)NN(CC[C@@](O)(Cc1ccccc1)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)Cc4ccc(Br)cc4)C(C)(C)C
chemicalCompound:molecularF...	C35H43BrN4O6
chemicalCompound:moleculeId	573953
chemicalCompound:mwFreebase	695.643
chemicalCompound:alogp	4.485
chemicalCompound:hba	7
chemicalCompound:hbd	5
chemicalCompound:psa	140.23
chemicalCompound:rtb	14
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.115
chemicalCompound:acdLogP	4.518
chemicalCompound:acdLogD	4.517
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	695.643
chemicalCompound:acdMostBpk...	1.59
chemicalCompound:chemblId	CHEMBL574795
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:673953
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:2945398, activity:2945431, activity:2945464, activity:2945488, activity:2945493, activity:2945496, activity:2945497, activity:2945498, activity:2945499, activity:2945500, activity:2945501