162476

Source:http://linkedlifedata.com/resource/chembl/compound/162476

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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/C16H19N7O6/c1-2-28-15(27)7-3-19-23(4-7)16-20-12(17)9-13(21-16)22(6-18-9)14-11(26)10(25)8(5-24)29-14/h3-4,6,8,10-11,14,24-26H,2,5H2,1H3,(H2,17,20,21)/t8-,10-,11-,14-/m1/s1
chemicalCompound:standardIn...	ZPVLTIXYQGANFL-IDTAVKCVSA-N
chemicalCompound:canonicalS...	CCOC(=O)c1cnn(c1)c2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2
chemicalCompound:molecularF...	C16 H19 N7 O6
chemicalCompound:moleculeId	162476
chemicalCompound:mwFreebase	405.365
chemicalCompound:alogp	-0.929
chemicalCompound:hba	11
chemicalCompound:hbd	4
chemicalCompound:psa	183.65
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.07
chemicalCompound:acdLogP	-0.142
chemicalCompound:acdLogD	-0.142
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	405.365
chemicalCompound:acdMostBpk...	1.318
chemicalCompound:chemblId	CHEMBL101218
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:262476
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:1245377, activity:1245378