569489

Source:http://linkedlifedata.com/resource/chembl/compound/569489

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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/C18H16N8O3/c19-24-23-11-6-14(29-13(11)8-27)26-9-20-15-16(26)22-18-21-12(7-25(18)17(15)28)10-4-2-1-3-5-10/h1-5,7,9,11,13-14,27H,6,8H2,(H,21,22)/t11-,13+,14+/m0/s1
chemicalCompound:standardIn...	ULCSCFRSMOGYGC-IACUBPJLSA-N
chemicalCompound:canonicalS...	OC[C@H]1O[C@H](C[C@@H]1N=[N+]=[N-])n2cnc3C(=O)N4C=C(NC4=Nc23)c5ccccc5
chemicalCompound:molecularF...	C18H16N8O3
chemicalCompound:moleculeId	569489
chemicalCompound:mwFreebase	392.371
chemicalCompound:alogp	1.07
chemicalCompound:hba	8
chemicalCompound:hbd	2
chemicalCompound:psa	141.72
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	1.14
chemicalCompound:acdLogD	1.14
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	392.371
chemicalCompound:acdMostBpk...	2.37
chemicalCompound:chemblId	CHEMBL578449
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:669489
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:2909840, activity:2909851, activity:2909867, activity:2909872, activity:2909898, activity:2909928, activity:2917872