607452

Source:http://linkedlifedata.com/resource/chembl/compound/607452

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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/C16H25N4O8P/c1-2-3-4-5-6-10-18-14-11(15(23)19-10)17-8-20(14)16-13(22)12(21)9(28-16)7-27-29(24,25)26/h8-9,12-13,16,21-22H,2-7H2,1H3,(H,18,19,23)(H2,24,25,26)/t9-,12-,13-,16?/m0/s1
chemicalCompound:standardIn...	UBNDRGGFJUTSLA-GQQRLTBFSA-N
chemicalCompound:canonicalS...	CCCCCCc1nc(O)c2ncn(C3O[C@@H](COP(=O)(O)O)[C@H](O)[C@@H]3O)c2n1
chemicalCompound:molecularF...	C16H25N4O8P
chemicalCompound:moleculeId	607452
chemicalCompound:mwFreebase	432.365
chemicalCompound:alogp	1
chemicalCompound:hba	11
chemicalCompound:hbd	5
chemicalCompound:psa	190.08
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	0.206
chemicalCompound:acdLogP	-1.263
chemicalCompound:acdLogD	-5.523
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	432.365
chemicalCompound:acdMostBpk...	9.813
chemicalCompound:chemblId	CHEMBL609561
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:707452
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:1061549