84726

Source:http://linkedlifedata.com/resource/chembl/compound/84726

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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/C18H32N6O7/c1-7(19)13(25)20-8(2)14(26)21-9(3)15(27)22-10(4)16(28)23-11(5)17(29)24-12(6)18(30)31/h7-12H,19H2,1-6H3,(H,20,25)(H,21,26)(H,22,27)(H,23,28)(H,24,29)(H,30,31)/t7-,8-,9-,10-,11-,12-/m0/s1
chemicalCompound:standardIn...	ZLHDFPIXRRJBKM-ZNSCXOEOSA-N
chemicalCompound:canonicalS...	C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O
chemicalCompound:molecularF...	C18 H32 N6 O7
chemicalCompound:moleculeId	84726
chemicalCompound:mwFreebase	444.483
chemicalCompound:alogp	-5.441
chemicalCompound:hba	8
chemicalCompound:hbd	7
chemicalCompound:psa	208.81
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.43
chemicalCompound:acdLogP	-2.685
chemicalCompound:acdLogD	-5.255
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	444.483
chemicalCompound:acdMostBpk...	8.119
chemicalCompound:chemblId	CHEMBL301062
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:184726
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:231668