279428

Source:http://linkedlifedata.com/resource/chembl/compound/279428

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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/C20H34N4O11/c1-8(17(29)24-11(19(31)33-4)5-6-13(21)27)22-18(30)9(2)34-16-14(23-10(3)26)20(32)35-12(7-25)15(16)28/h8-9,11-12,14-16,20,25,28,32H,5-7H2,1-4H3,(H2,21,27)(H,22,30)(H,23,26)(H,24,29)/t8?,9?,11?,12?,14-,15+,16?,20+/m0/s1
chemicalCompound:standardIn...	OXSVRXKURHXDIV-VTVWQFAISA-N
chemicalCompound:canonicalS...	COC(=O)C(CCC(=O)N)NC(=O)C(C)NC(=O)C(C)OC1[C@H](O)C(CO)O[C@@H](O)[C@H]1NC(=O)C
chemicalCompound:molecularF...	C20 H34 N4 O11
chemicalCompound:moleculeId	279428
chemicalCompound:mwFreebase	506.504
chemicalCompound:alogp	-4.02
chemicalCompound:hba	11
chemicalCompound:hbd	7
chemicalCompound:psa	235.83
chemicalCompound:rtb	13
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	3
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.911
chemicalCompound:acdLogP	-2.442
chemicalCompound:acdLogD	-2.441
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	506.504
chemicalCompound:chemblId	CHEMBL355568
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:379428
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:985935, activity:985936, activity:985937, activity:985938, activity:985939, activity:985940