688479

Source:http://linkedlifedata.com/resource/chembl/compound/688479

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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/C14H27N5O4/c1-4-8(2)11(13(22)23)19-12(21)10(18-9(3)20)6-5-7-17-14(15)16/h8,10-11H,4-7H2,1-3H3,(H,18,20)(H,19,21)(H,22,23)(H4,15,16,17)/t8-,10-,11-/m0/s1
chemicalCompound:standardIn...	IJQLNBFUDDJYMK-LSJOCFKGSA-N
chemicalCompound:canonicalS...	CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)C)C(=O)O
chemicalCompound:molecularF...	C14H27N5O4
chemicalCompound:moleculeId	688479
chemicalCompound:mwFreebase	329.395
chemicalCompound:alogp	-0.487
chemicalCompound:hba	5
chemicalCompound:hbd	6
chemicalCompound:psa	157.4
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.398
chemicalCompound:acdLogP	-1.419
chemicalCompound:acdLogD	-3.918
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	329.395
chemicalCompound:acdMostBpk...	13.35
chemicalCompound:chemblId	CHEMBL1222047
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:788479
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:3421028