705549

Source:http://linkedlifedata.com/resource/chembl/compound/705549

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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/C42H58N8O11/c1-22(2)17-29-37(56)48-32(21-51)39(58)45-30(18-25-8-12-27(52)13-9-25)38(57)47-31(19-26-10-14-28(53)15-11-26)42(61)50-16-6-7-33(50)40(59)44-24(5)36(55)43-20-34(54)49-35(23(3)4)41(60)46-29/h8-15,22-24,29-33,35,51-53H,6-7,16-21H2,1-5H3,(H,43,55)(H,44,59)(H,45,58)(H,46,60)(H,47,57)(H,48,56)(H,49,54)/t24-,29-,30-,31-,32-,33-,35-/m0/s1
chemicalCompound:standardIn...	TTWQXQGABLQRFP-NVKOMBKQSA-N
chemicalCompound:canonicalS...	CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CO)NC1=O)C(C)C
chemicalCompound:molecularF...	C42H58N8O11
chemicalCompound:moleculeId	705549
chemicalCompound:mwFreebase	850.957
chemicalCompound:alogp	0
chemicalCompound:hba	11
chemicalCompound:hbd	10
chemicalCompound:psa	284.69
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	3
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.894
chemicalCompound:acdLogP	-1.733
chemicalCompound:acdLogD	-1.735
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	850.957
chemicalCompound:chemblId	CHEMBL1256561
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:805549
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:3500649, activity:3500650