201254

Source:http://linkedlifedata.com/resource/chembl/compound/201254

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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/C10H13N2O7P/c1-6-4-12(10(14)11-9(6)13)7-2-3-8(19-7)18-5-20(15,16)17/h2-4,7-8H,5H2,1H3,(H,11,13,14)(H2,15,16,17)/t7-,8+/m1/s1
chemicalCompound:standardIn...	GFOIEUKLMHXAEP-SFYZADRCSA-N
chemicalCompound:canonicalS...	CC1=CN([C@@H]2O[C@H](OCP(=O)(O)O)C=C2)C(=O)NC1=O
chemicalCompound:molecularF...	C10 H13 N2 O7 P
chemicalCompound:moleculeId	201254
chemicalCompound:mwFreebase	304.193
chemicalCompound:alogp	-0.718
chemicalCompound:hba	7
chemicalCompound:hbd	3
chemicalCompound:psa	135.21
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	1.534
chemicalCompound:acdLogP	-0.702
chemicalCompound:acdLogD	-4.691
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	304.193
chemicalCompound:chemblId	CHEMBL122885
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:301254
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:565334, activity:1887259, activity:1887267, activity:1887277, activity:1887285, activity:1887292, activity:1887294, activity:2089251, activity:2089265, activity:2089274, activity:2089282, activity:2089290, activity:2089298, activity:3465409, activity:3465414