573963

Source:http://linkedlifedata.com/resource/chembl/compound/573963

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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/C39H48N6O6/c1-38(2,3)34(42-37(49)51-5)35(47)43-45(24-27-15-17-28(18-16-27)30-23-40-44(4)25-30)20-19-39(50,22-26-11-7-6-8-12-26)36(48)41-33-31-14-10-9-13-29(31)21-32(33)46/h6-18,23,25,32-34,46,50H,19-22,24H2,1-5H3,(H,41,48)(H,42,49)(H,43,47)/t32-,33+,34-,39-/m1/s1
chemicalCompound:standardIn...	QSYRNEWGDNHYNF-DCXWOTQGSA-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)c5cnn(C)c5)C(C)(C)C
chemicalCompound:molecularF...	C39H48N6O6
chemicalCompound:moleculeId	573963
chemicalCompound:mwFreebase	696.835
chemicalCompound:alogp	3.905
chemicalCompound:hba	8
chemicalCompound:hbd	5
chemicalCompound:psa	158.05
chemicalCompound:rtb	15
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.12
chemicalCompound:acdLogP	4.292
chemicalCompound:acdLogD	4.291
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	696.835
chemicalCompound:acdMostBpk...	1.927
chemicalCompound:chemblId	CHEMBL574755
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:673963
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:2945408, activity:2945441, activity:2945474