163425

Source:http://linkedlifedata.com/resource/chembl/compound/163425

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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/C41H64N8O9/c1-12-25(6)33(38(54)46-31(39(55)57-11)20-28-21-42-22-43-28)49-37(53)32(24(4)5)48-36(52)29(18-23(2)3)45-34(50)26(7)44-35(51)30(19-27-16-14-13-15-17-27)47-40(56)58-41(8,9)10/h13-17,21-26,29-33H,12,18-20H2,1-11H3,(H,42,43)(H,44,51)(H,45,50)(H,46,54)(H,47,56)(H,48,52)(H,49,53)/t25-,26-,29-,30-,31-,32-,33-/m0/s1
chemicalCompound:standardIn...	HSIRWURLJCQVII-MRHHCFRNSA-N
chemicalCompound:canonicalS...	CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)OC
chemicalCompound:molecularF...	C41 H64 N8 O9
chemicalCompound:moleculeId	163425
chemicalCompound:mwFreebase	812.995
chemicalCompound:alogp	3.374
chemicalCompound:hba	10
chemicalCompound:hbd	7
chemicalCompound:psa	238.8
chemicalCompound:rtb	24
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.303
chemicalCompound:acdLogP	5.478
chemicalCompound:acdLogD	5.426
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	812.995
chemicalCompound:acdMostBpk...	6.497
chemicalCompound:chemblId	CHEMBL101874
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:263425
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:34435, activity:34436, activity:34437, activity:34438, activity:34439, activity:34440, activity:34441