203431

Source:http://linkedlifedata.com/resource/chembl/compound/203431

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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/C12H16N5O7P/c13-11-10-12(15-4-14-11)17(5-16-10)8-1-6(18)7(24-8)2-23-25(21,22)3-9(19)20/h4-8,18H,1-3H2,(H,19,20)(H,21,22)(H2,13,14,15)
chemicalCompound:standardIn...	QYYJHQALAIQUOU-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Nc1ncnc2c1ncn2C3CC(O)C(COP(=O)(O)CC(=O)O)O3
chemicalCompound:molecularF...	C12 H16 N5 O7 P
chemicalCompound:moleculeId	203431
chemicalCompound:mwFreebase	373.259
chemicalCompound:alogp	-1.819
chemicalCompound:hba	11
chemicalCompound:hbd	4
chemicalCompound:psa	192.71
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	1.754
chemicalCompound:acdLogP	-1.207
chemicalCompound:acdLogD	-5.936
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	373.259
chemicalCompound:acdMostBpk...	3.823
chemicalCompound:chemblId	CHEMBL121870
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:303431
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:605993, activity:605994, activity:605995