251086

Source:http://linkedlifedata.com/resource/chembl/compound/251086

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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/C32H44N2O9/c1-20(2)26(31(38)39)33(5)29(36)25(42-18-22-13-9-7-10-14-22)17-24(35)28(43-19-23-15-11-8-12-16-23)30(37)34(6)27(21(3)4)32(40)41/h7-16,20-21,24-28,35H,17-19H2,1-6H3,(H,38,39)(H,40,41)/t24-,25-,26?,27?,28-/m1/s1
chemicalCompound:standardIn...	GJPVONFLVJBXNU-IJYLFTOZSA-N
chemicalCompound:canonicalS...	CC(C)C(N(C)C(=O)[C@@H](C[C@@H](O)[C@@H](OCc1ccccc1)C(=O)N(C)C(C(C)C)C(=O)O)OCc2ccccc2)C(=O)O
chemicalCompound:molecularF...	C32 H44 N2 O9
chemicalCompound:moleculeId	251086
chemicalCompound:mwFreebase	600.7
chemicalCompound:alogp	3.057
chemicalCompound:hba	9
chemicalCompound:hbd	3
chemicalCompound:psa	153.91
chemicalCompound:rtb	17
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.268
chemicalCompound:acdLogP	2.477
chemicalCompound:acdLogD	-2.273
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	600.7
chemicalCompound:chemblId	CHEMBL150907
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:351086
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:152709, activity:152710, activity:152711, activity:152712