101106

Source:http://linkedlifedata.com/resource/chembl/compound/101106

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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/C7H12N3O5P/c8-7-9-6(11)1-2-10(7)3-4-15-5-16(12,13)14/h1-2H,3-5H2,(H2,8,9,11)(H2,12,13,14)
chemicalCompound:standardIn...	JHNRMCLADDAEJY-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NC1=NC(=O)C=CN1CCOCP(=O)(O)O
chemicalCompound:molecularF...	C7 H12 N3 O5 P
chemicalCompound:moleculeId	101106
chemicalCompound:mwFreebase	249.161
chemicalCompound:alogp	-1.665
chemicalCompound:hba	8
chemicalCompound:hbd	3
chemicalCompound:psa	135.26
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	1.598
chemicalCompound:acdLogP	-1.946
chemicalCompound:acdLogD	-5.856
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	249.161
chemicalCompound:acdMostBpk...	2.382
chemicalCompound:chemblId	CHEMBL66091
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:201106
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:512631, activity:512632, activity:512633, activity:512634, activity:512635, activity:512636, activity:512637, activity:512638, activity:512639, activity:512640, activity:512641, activity:512642, activity:512643, activity:512644, activity:512645, activity:512646, activity:512647