11

Source:http://linkedlifedata.com/resource/chembl/compound/11

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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/C43H56N8O8S/c1-26(2)23-35-41(57)47-31(19-22-60-3)43(59)50-20-10-15-34(50)40(56)45-29(16-17-36(44)52)37(53)48-33(25-28-13-8-5-9-14-28)39(55)49-32(24-27-11-6-4-7-12-27)38(54)46-30-18-21-51(35)42(30)58/h4-9,11-14,18,21,26,29-35H,10,15-17,19-20,22-25H2,1-3H3,(H2,44,52)(H,45,56)(H,46,54)(H,47,57)(H,48,53)(H,49,55)/t29-,30?,31+,32-,33+,34+,35-/m1/s1
chemicalCompound:standardIn...	MOLWLGMZNWLFFC-NVJOVLQXSA-N
chemicalCompound:canonicalS...	CSCC[C@@H]1NC(=O)[C@@H](CC(C)C)N2C=CC(NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@@H](CCC(=O)N)NC(=O)[C@@H]5CCCN5C1=O)C2=O
chemicalCompound:molecularF...	C43 H56 N8 O8 S
chemicalCompound:moleculeId	11
chemicalCompound:mwFreebase	845.019
chemicalCompound:alogp	0.482
chemicalCompound:hba	9
chemicalCompound:hbd	6
chemicalCompound:psa	254.5
chemicalCompound:rtb	12
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	12.423
chemicalCompound:acdLogP	-0.854
chemicalCompound:acdLogD	-0.854
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	845.019
chemicalCompound:chemblId	CHEMBL269730
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100011
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:36047