1155048

Source:http://linkedlifedata.com/resource/chembl/compound/1155048

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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/C15H25N6O15P3S/c16-6(15(24)25)1-2-40(33)7(3-37(26,27)35-39(31,32)36-38(28,29)30)11-9(22)10(23)14(34-11)21-5-20-8-12(17)18-4-19-13(8)21/h4-7,9-11,14,22-23H,1-3,16H2,(H,24,25)(H,26,27)(H,31,32)(H2,17,18,19)(H2,28,29,30)/t6?,7?,9-,10+,11+,14+,40?/m0/s1
chemicalCompound:standardIn...	MXSOOYSYSMMHNI-JLJGMEGWSA-N
chemicalCompound:canonicalS...	NC(CC[S+]([O-])C(CP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23)C(=O)O
chemicalCompound:molecularF...	C15H25N6O15P3S
chemicalCompound:moleculeId	1155048
chemicalCompound:mwFreebase	654.376
chemicalCompound:alogp	-6.46
chemicalCompound:hba	20
chemicalCompound:hbd	9
chemicalCompound:psa	398.93
chemicalCompound:rtb	13
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	3
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	-0.138
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	654.376
chemicalCompound:acdMostBpk...	3.823
chemicalCompound:chemblId	CHEMBL1791417
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1255048
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:70901, activity:70902