203610

Source:http://linkedlifedata.com/resource/chembl/compound/203610

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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/C12H17N2O9P/c1-6-3-14(12(19)13-11(6)18)9-2-7(15)8(23-9)4-22-24(20,21)5-10(16)17/h3,7-9,15H,2,4-5H2,1H3,(H,16,17)(H,20,21)(H,13,18,19)
chemicalCompound:standardIn...	ADOJKJZWANHDFS-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC1=CN(C2CC(O)C(COP(=O)(O)CC(=O)O)O2)C(=O)NC1=O
chemicalCompound:molecularF...	C12 H17 N2 O9 P
chemicalCompound:moleculeId	203610
chemicalCompound:mwFreebase	364.245
chemicalCompound:alogp	-1.943
chemicalCompound:hba	9
chemicalCompound:hbd	4
chemicalCompound:psa	172.5
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	1.754
chemicalCompound:acdLogP	-1.93
chemicalCompound:acdLogD	-6.666
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	364.245
chemicalCompound:chemblId	CHEMBL420908
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:303610
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:598340, activity:598341, activity:598342