118618

Source:http://linkedlifedata.com/resource/chembl/compound/118618

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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/C16H31N3O5/c1-9(2)7-10(11(8-20)14(22)19-24)13(21)18-12(15(23)17-6)16(3,4)5/h9-12,20,24H,7-8H2,1-6H3,(H,17,23)(H,18,21)(H,19,22)/t10-,11+,12-/m1/s1
chemicalCompound:standardIn...	MOODLLAARDEUNJ-GRYCIOLGSA-N
chemicalCompound:canonicalS...	CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](CO)C(=O)NO)C(C)(C)C
chemicalCompound:molecularF...	C16 H31 N3 O5
chemicalCompound:moleculeId	118618
chemicalCompound:mwFreebase	345.434
chemicalCompound:alogp	0.263
chemicalCompound:hba	5
chemicalCompound:hbd	5
chemicalCompound:psa	127.76
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.009
chemicalCompound:acdLogP	1
chemicalCompound:acdLogD	0.991
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	345.434
chemicalCompound:chemblId	CHEMBL433314
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:218618
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:366195, activity:366196, activity:366197, activity:366198, activity:366199