1154245

Source:http://linkedlifedata.com/resource/chembl/compound/1154245

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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/C43H49N7O7/c1-26(51)37-41(55)47-34(23-28-14-6-3-7-15-28)42(56)50-21-11-19-36(50)43(57)49-20-10-18-35(49)40(54)46-33(24-29-25-44-31-17-9-8-16-30(29)31)38(52)45-32(39(53)48-37)22-27-12-4-2-5-13-27/h2-9,12-17,25-26,32-37,44,51H,10-11,18-24H2,1H3,(H,45,52)(H,46,54)(H,47,55)(H,48,53)/t26-,32-,33+,34-,35?,36-,37-/m0/s1
chemicalCompound:standardIn...	BNOYHEDWXXHZEA-BCVAMPIOSA-N
chemicalCompound:canonicalS...	C[C@H](O)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)C5CCCN5C(=O)[C@@H]6CCCN6C(=O)[C@H](Cc7ccccc7)NC1=O
chemicalCompound:molecularF...	C43H49N7O7
chemicalCompound:moleculeId	1154245
chemicalCompound:mwFreebase	775.892
chemicalCompound:alogp	2.35
chemicalCompound:hba	7
chemicalCompound:hbd	6
chemicalCompound:psa	193.03
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.368
chemicalCompound:acdLogP	2.537
chemicalCompound:acdLogD	2.537
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	775.892
chemicalCompound:chemblId	CHEMBL1790614
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1254245
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:279242