646953

Source:http://linkedlifedata.com/resource/chembl/compound/646953

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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/C16H16N8O19P3/c17-13-10-14(19-4-18-13)21(5-20-10)15-12-11(7(39-15)3-38-45(34,35)43-46(36,37)42-44(31,32)33)40-16(41-12)8(23(27)28)1-6(22(25)26)2-9(16)24(29)30/h1-2,4-5,7,11-12,15H,3H2,(H6-,17,18,19,25,26,31,32,33,34,35,36,37)/q-1/t7-,11-,12-,15-/m1/s1
chemicalCompound:standardIn...	LQZBDVDATBCNNN-UHEGPQQHSA-N
chemicalCompound:canonicalS...	Nc1ncnc2c1ncn2[C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H]4OC5(O[C@@H]34)C(=CC(=[N+]([O-])[O-])C=C5[N+](=O)[O-])[N+](=O)[O-]
chemicalCompound:molecularF...	C16H16N8O19P3
chemicalCompound:moleculeId	646953
chemicalCompound:mwFreebase	717.262
chemicalCompound:alogp	-1.385
chemicalCompound:hba	23
chemicalCompound:hbd	5
chemicalCompound:psa	424.02
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	0.787
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	717.262
chemicalCompound:acdMostBpk...	3.536
chemicalCompound:chemblId	CHEMBL1163419
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:746953
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	TNP-ATP
chemicalCompound:activity	activity:59847, activity:59848, activity:59849, activity:59850, activity:3325629, activity:3325638, activity:5084096, activity:5084305