453718

Source:http://linkedlifedata.com/resource/chembl/compound/453718

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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/C17H23N7O8/c18-7(16(29)30)1-6-12(27)19-8(2-4-10(25)13-21-22-13)15(28)20-9(17(31)32)3-5-11(26)14-23-24-14/h7-9,13-14H,1-6,18H2,(H,19,27)(H,20,28)(H,29,30)(H,31,32)/t7-,8-,9-/m0/s1
chemicalCompound:standardIn...	RPEPXOHTYVXVMA-CIUDSAMLSA-N
chemicalCompound:canonicalS...	N[C@@H](CCC(=O)N[C@@H](CCC(=O)C1N=N1)C(=O)N[C@@H](CCC(=O)C2N=N2)C(=O)O)C(=O)O
chemicalCompound:molecularF...	C17H23N7O8
chemicalCompound:moleculeId	453718
chemicalCompound:mwFreebase	453.407
chemicalCompound:alogp	-2.827
chemicalCompound:hba	13
chemicalCompound:hbd	5
chemicalCompound:psa	242.4
chemicalCompound:rtb	16
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	2.215
chemicalCompound:acdLogP	-2.277
chemicalCompound:acdLogD	-5.784
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	453.407
chemicalCompound:acdMostBpk...	9.298
chemicalCompound:chemblId	CHEMBL475127
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:553718
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	AZOTOMYCIN
chemicalCompound:activity	activity:2588794, activity:2588840