569493

Source:http://linkedlifedata.com/resource/chembl/compound/569493

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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/C20H21N9O3/c1-27(2)12-5-3-11(4-6-12)14-8-28-19(31)17-18(24-20(28)23-14)29(10-22-17)16-7-13(25-26-21)15(9-30)32-16/h3-6,8,10,13,15-16,30H,7,9H2,1-2H3,(H,23,24)/t13-,15+,16+/m0/s1
chemicalCompound:standardIn...	RBTGCHDFYODGOX-NUEKZKHPSA-N
chemicalCompound:canonicalS...	CN(C)c1ccc(cc1)C2=CN3C(=Nc4c(ncn4[C@H]5C[C@H](N=[N+]=[N-])[C@@H](CO)O5)C3=O)N2
chemicalCompound:molecularF...	C20H21N9O3
chemicalCompound:moleculeId	569493
chemicalCompound:mwFreebase	435.439
chemicalCompound:alogp	1.232
chemicalCompound:hba	9
chemicalCompound:hbd	2
chemicalCompound:psa	144.97
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	1.39
chemicalCompound:acdLogD	1.372
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	435.439
chemicalCompound:acdMostBpk...	6.049
chemicalCompound:chemblId	CHEMBL575181
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:669493
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:2909806, activity:2909813, activity:2909869, activity:2909901, activity:2909931, activity:2917809, activity:2917874