569490

Source:http://linkedlifedata.com/resource/chembl/compound/569490

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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/C19H18N8O4/c1-30-11-4-2-10(3-5-11)13-7-26-18(29)16-17(23-19(26)22-13)27(9-21-16)15-6-12(24-25-20)14(8-28)31-15/h2-5,7,9,12,14-15,28H,6,8H2,1H3,(H,22,23)/t12-,14+,15+/m0/s1
chemicalCompound:standardIn...	QCRBMVISPMKASR-NWANDNLSSA-N
chemicalCompound:canonicalS...	COc1ccc(cc1)C2=CN3C(=Nc4c(ncn4[C@H]5C[C@H](N=[N+]=[N-])[C@@H](CO)O5)C3=O)N2
chemicalCompound:molecularF...	C19H18N8O4
chemicalCompound:moleculeId	569490
chemicalCompound:mwFreebase	422.397
chemicalCompound:alogp	1.053
chemicalCompound:hba	9
chemicalCompound:hbd	2
chemicalCompound:psa	150.95
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	1.162
chemicalCompound:acdLogD	1.162
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	422.397
chemicalCompound:acdMostBpk...	2.379
chemicalCompound:chemblId	CHEMBL572871
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:669490
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:2909820, activity:2909836, activity:2909845, activity:2909864, activity:2909899, activity:2909929, activity:2917873, activity:2917898