573955

Source:http://linkedlifedata.com/resource/chembl/compound/573955

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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/C41H48N4O6/c1-40(2,3)36(43-39(49)51-4)37(47)44-45(27-29-19-21-31(22-20-29)30-15-9-6-10-16-30)24-23-41(50,26-28-13-7-5-8-14-28)38(48)42-35-33-18-12-11-17-32(33)25-34(35)46/h5-22,34-36,46,50H,23-27H2,1-4H3,(H,42,48)(H,43,49)(H,44,47)/t34-,35+,36-,41-/m1/s1
chemicalCompound:standardIn...	SGFNOMILCNTPRY-IBHRRMRLSA-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)c5ccccc5)C(C)(C)C
chemicalCompound:molecularF...	C41H48N4O6
chemicalCompound:moleculeId	573955
chemicalCompound:mwFreebase	692.843
chemicalCompound:alogp	5.255
chemicalCompound:hba	7
chemicalCompound:hbd	5
chemicalCompound:psa	140.23
chemicalCompound:rtb	15
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.118
chemicalCompound:acdLogP	5.565
chemicalCompound:acdLogD	5.564
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	692.843
chemicalCompound:acdMostBpk...	1.925
chemicalCompound:chemblId	CHEMBL583369
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:673955
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:2945400, activity:2945433, activity:2945466