642672

Source:http://linkedlifedata.com/resource/chembl/compound/642672

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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/C16H26N5O18P3/c17-13-7-14(19-3-18-13)21(4-20-7)15-12(39-42(31,32)33)9(5(1-22)34-15)36-16-8(24)11(38-41(28,29)30)10(6(2-23)35-16)37-40(25,26)27/h3-6,8-12,15-16,22-24H,1-2H2,(H2,17,18,19)(H2,25,26,27)(H2,28,29,30)(H2,31,32,33)/t5-,6?,8?,9+,10?,11-,12?,15-,16+/m1/s1
chemicalCompound:standardIn...	RENVITLQVBEFDT-DCUYEVCRSA-N
chemicalCompound:canonicalS...	Nc1ncnc2c1ncn2[C@@H]3O[C@H](CO)[C@H](O[C@@H]4OC(CO)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)C4O)C3OP(=O)(O)O
chemicalCompound:molecularF...	C16H26N5O18P3
chemicalCompound:moleculeId	642672
chemicalCompound:mwFreebase	669.322
chemicalCompound:alogp	-3.842
chemicalCompound:hba	22
chemicalCompound:hbd	10
chemicalCompound:psa	387.71
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	3
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	1.835
chemicalCompound:acdLogP	-7.999
chemicalCompound:acdLogD	-16.283
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	669.322
chemicalCompound:acdMostBpk...	3.823
chemicalCompound:chemblId	CHEMBL1161133
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:742672
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:153771, activity:153772, activity:153773