162764

Source:http://linkedlifedata.com/resource/chembl/compound/162764

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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/C17H22N8O5/c1-2-3-19-15(29)8-4-21-25(5-8)17-22-13(18)10-14(23-17)24(7-20-10)16-12(28)11(27)9(6-26)30-16/h4-5,7,9,11-12,16,26-28H,2-3,6H2,1H3,(H,19,29)(H2,18,22,23)/t9-,11-,12-,16-/m1/s1
chemicalCompound:standardIn...	SOZFXTLKGLGATP-UBEDBUPSSA-N
chemicalCompound:canonicalS...	CCCNC(=O)c1cnn(c1)c2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2
chemicalCompound:molecularF...	C17 H22 N8 O5
chemicalCompound:moleculeId	162764
chemicalCompound:mwFreebase	418.407
chemicalCompound:alogp	-1.053
chemicalCompound:hba	10
chemicalCompound:hbd	5
chemicalCompound:psa	186.45
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.072
chemicalCompound:acdLogP	-0.225
chemicalCompound:acdLogD	-0.225
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	418.407
chemicalCompound:acdMostBpk...	1.473
chemicalCompound:chemblId	CHEMBL98659
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:262764
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:1236206, activity:1236207