152762

Source:http://linkedlifedata.com/resource/chembl/compound/152762

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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/C10H13N4O7P/c15-7-6(2-20-22(17,18)19)21-10(8(7)16)14-4-13-5-1-11-3-12-9(5)14/h1,3-4,6-8,10,15-16H,2H2,(H2,17,18,19)/t6-,7-,8-,10-/m1/s1
chemicalCompound:standardIn...	MCWDCZIDTUQRHK-FDDDBJFASA-N
chemicalCompound:canonicalS...	O[C@@H]1[C@@H](COP(=O)(O)O)O[C@H]([C@@H]1O)n2cnc3cncnc23
chemicalCompound:molecularF...	C10H13N4O7P
chemicalCompound:moleculeId	152762
chemicalCompound:mwFreebase	332.207
chemicalCompound:alogp	-1.745
chemicalCompound:hba	10
chemicalCompound:hbd	4
chemicalCompound:psa	169.86
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	1.856
chemicalCompound:acdLogP	-3.44
chemicalCompound:acdLogD	-7.71
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	332.207
chemicalCompound:acdMostBpk...	2.422
chemicalCompound:chemblId	CHEMBL96862
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:252762
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:45262
chemicalCompound:activity	activity:1123602, activity:1220215