573960

Source:http://linkedlifedata.com/resource/chembl/compound/573960

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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/C42H48N4O8/c1-41(2,3)37(44-40(50)52-4)38(48)45-46(25-28-14-16-29(17-15-28)30-18-19-34-35(23-30)54-26-53-34)21-20-42(51,24-27-10-6-5-7-11-27)39(49)43-36-32-13-9-8-12-31(32)22-33(36)47/h5-19,23,33,36-37,47,51H,20-22,24-26H2,1-4H3,(H,43,49)(H,44,50)(H,45,48)/t33-,36+,37-,42-/m1/s1
chemicalCompound:standardIn...	OQGKNQJQHWPCKR-WOXAJLDKSA-N
chemicalCompound:canonicalS...	COC(=O)N[C@H](C(=O)NN(CC[C@@](O)(Cc1ccccc1)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)Cc4ccc(cc4)c5ccc6OCOc6c5)C(C)(C)C
chemicalCompound:molecularF...	C42H48N4O8
chemicalCompound:moleculeId	573960
chemicalCompound:mwFreebase	736.853
chemicalCompound:alogp	5.023
chemicalCompound:hba	9
chemicalCompound:hbd	5
chemicalCompound:psa	158.69
chemicalCompound:rtb	15
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.12
chemicalCompound:acdLogP	5.477
chemicalCompound:acdLogD	5.476
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	736.853
chemicalCompound:acdMostBpk...	2.026
chemicalCompound:chemblId	CHEMBL574796
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:673960
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:2945405, activity:2945438, activity:2945471