126324

Source:http://linkedlifedata.com/resource/chembl/compound/126324

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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/C20H34N4O6/c21-10-4-3-6-13(22)18(26)23-14(19(27)28)8-9-17(25)24-15-7-2-1-5-12(15)11-16(24)20(29)30/h12-16H,1-11,21-22H2,(H,23,26)(H,27,28)(H,29,30)/t12-,13?,14+,15-,16-/m0/s1
chemicalCompound:standardIn...	BNBIQTQPUMEZAM-JQOZAWANSA-N
chemicalCompound:canonicalS...	NCCCCC(N)C(=O)N[C@H](CCC(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)O)C(=O)O
chemicalCompound:molecularF...	C20 H34 N4 O6
chemicalCompound:moleculeId	126324
chemicalCompound:mwFreebase	426.507
chemicalCompound:alogp	-5.306
chemicalCompound:hba	8
chemicalCompound:hbd	5
chemicalCompound:psa	176.05
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.062
chemicalCompound:acdLogP	0
chemicalCompound:acdLogD	-2.671
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	426.507
chemicalCompound:acdMostBpk...	10.481
chemicalCompound:chemblId	CHEMBL430630
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:226324
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:737326