569484

Source:http://linkedlifedata.com/resource/chembl/compound/569484

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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/C10H12N8O3/c11-10-14-8-7(9(20)15-10)13-3-18(8)6-1-4(16-17-12)5(2-19)21-6/h3-6,19H,1-2H2,(H3,11,14,15,20)/t4-,5+,6+/m0/s1
chemicalCompound:standardIn...	HETOJIJPBJGZFJ-KVQBGUIXSA-N
chemicalCompound:canonicalS...	Nc1nc(O)c2ncn([C@H]3C[C@H](N=[N+]=[N-])[C@@H](CO)O3)c2n1
chemicalCompound:molecularF...	C10H12N8O3
chemicalCompound:moleculeId	569484
chemicalCompound:mwFreebase	292.254
chemicalCompound:alogp	0.466
chemicalCompound:hba	9
chemicalCompound:hbd	3
chemicalCompound:psa	169.06
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	0.339
chemicalCompound:acdLogP	-0.841
chemicalCompound:acdLogD	-3.343
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	292.254
chemicalCompound:acdMostBpk...	9.853
chemicalCompound:chemblId	CHEMBL578448
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:669484
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:2909807, activity:2909822, activity:2909897, activity:2909927, activity:2917807, activity:2917840, activity:2917871, activity:3089701, activity:3089731, activity:3089761, activity:3089791, activity:3089821, activity:3471498, activity:3471508, activity:5222598, activity:5222608, activity:5222618, activity:5222666, activity:5222672, activity:5222678, activity:5222684, activity:5222690, activity:5222696, activity:5222702, activity:5222708, activity:5222713, activity:5222716, activity:5222719, activity:5222722, activity:5222725, activity:5222728, activity:5222731, activity:5222734, activity:5222737, activity:5222740, activity:5222743, activity:5223795, activity:5223798, activity:5223801, activity:5223804, activity:5223815, activity:5223816, activity:5223823, activity:5223824, activity:5223825, activity:5223826, activity:5223827, activity:5223828, activity:5223829, activity:5223830, activity:5223831, activity:5223832, activity:5223833, activity:5223834, activity:5223835, activity:5223856