658509

Source:http://linkedlifedata.com/resource/chembl/compound/658509

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
chemicalCompound:standardIn...	InChI=1S/C12H17N2O7P/c1-2-3-7-5-14(12(16)13-11(7)15)10-4-8-9(20-10)6-19-22(17,18)21-8/h5,8-10H,2-4,6H2,1H3,(H,17,18)(H,13,15,16)
chemicalCompound:standardIn...	DFDDSSYWDYRDCQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCC1=CN(C2CC3OP(=O)(O)OCC3O2)C(=O)NC1=O
chemicalCompound:molecularF...	C12H17N2O7P
chemicalCompound:moleculeId	658509
chemicalCompound:mwFreebase	332.246
chemicalCompound:alogp	0
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	124.21
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	1.237
chemicalCompound:acdLogP	2.703
chemicalCompound:acdLogD	-0.8
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	332.246
chemicalCompound:chemblId	CHEMBL1184559
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:758509
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No