642671

Source:http://linkedlifedata.com/resource/chembl/compound/642671

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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/C14H25N2O18P3/c17-3-6-9(12(34-37(26,27)28)13(29-6)16-2-1-15-5-16)31-14-8(19)11(33-36(23,24)25)10(7(4-18)30-14)32-35(20,21)22/h1-2,5-14,17-19H,3-4H2,(H2,20,21,22)(H2,23,24,25)(H2,26,27,28)/t6-,7?,8?,9+,10?,11-,12?,13-,14+/m1/s1
chemicalCompound:standardIn...	MTNHUHLRIWUBKK-LTVMIXMMSA-N
chemicalCompound:canonicalS...	OC[C@H]1O[C@H](C(OP(=O)(O)O)[C@H]1O[C@@H]2OC(CO)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)C2O)n3ccnc3
chemicalCompound:molecularF...	C14H25N2O18P3
chemicalCompound:moleculeId	642671
chemicalCompound:mwFreebase	602.272
chemicalCompound:alogp	-3.683
chemicalCompound:hba	19
chemicalCompound:hbd	9
chemicalCompound:psa	335.91
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	3
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	1.835
chemicalCompound:acdLogP	-8.604
chemicalCompound:acdLogD	-16.678
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	602.272
chemicalCompound:acdMostBpk...	6.027
chemicalCompound:chemblId	CHEMBL1161132
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:742671
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:168521, activity:168522, activity:168523