207844

Source:http://linkedlifedata.com/resource/chembl/compound/207844

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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/C42H52N6O8/c1-25(2)33(39(51)43-5)47-41(53)37(55-23-27-13-17-29(18-14-27)31-11-7-9-21-45-31)35(49)36(50)38(42(54)48-34(26(3)4)40(52)44-6)56-24-28-15-19-30(20-16-28)32-12-8-10-22-46-32/h7-22,25-26,33-38,49-50H,23-24H2,1-6H3,(H,43,51)(H,44,52)(H,47,53)(H,48,54)/t33-,34-,35+,36+,37+,38+/m0/s1
chemicalCompound:standardIn...	KBBBMHGFCVYISD-CXPJILFNSA-N
chemicalCompound:canonicalS...	CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccc(cc1)c2ccccn2)[C@H](O)[C@@H](O)[C@@H](OCc3ccc(cc3)c4ccccn4)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C
chemicalCompound:molecularF...	C42 H52 N6 O8
chemicalCompound:moleculeId	207844
chemicalCompound:mwFreebase	768.898
chemicalCompound:alogp	2.822
chemicalCompound:hba	10
chemicalCompound:hbd	6
chemicalCompound:psa	201.09
chemicalCompound:rtb	19
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.192
chemicalCompound:acdLogP	7.221
chemicalCompound:acdLogD	7.219
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	768.898
chemicalCompound:acdMostBpk...	4.745
chemicalCompound:chemblId	CHEMBL127524
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:307844
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:178344, activity:178345, activity:178346, activity:178347, activity:629618, activity:629619, activity:629620