197049

Source:http://linkedlifedata.com/resource/chembl/compound/197049

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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/C16H31N3O4/c1-7-8-9-11(17-10-12(20)21)14(22)18-13(16(2,3)4)15(23)19(5)6/h11,13,17H,7-10H2,1-6H3,(H,18,22)(H,20,21)/t11-,13+/m0/s1
chemicalCompound:standardIn...	CPIAAPOACQUXSQ-WCQYABFASA-N
chemicalCompound:canonicalS...	CCCC[C@H](NCC(=O)O)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C
chemicalCompound:molecularF...	C16 H31 N3 O4
chemicalCompound:moleculeId	197049
chemicalCompound:mwFreebase	329.435
chemicalCompound:alogp	-1.593
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	98.74
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	2.136
chemicalCompound:acdLogP	3.375
chemicalCompound:acdLogD	0.795
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	329.435
chemicalCompound:acdMostBpk...	8.904
chemicalCompound:chemblId	CHEMBL422076
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:297049
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:634251, activity:634252, activity:634253