100906

Source:http://linkedlifedata.com/resource/chembl/compound/100906

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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/C8H12N5O4PS/c9-8-11-6-5(7(19)12-8)13(3-10-6)1-2-17-4-18(14,15)16/h3H,1-2,4H2,(H2,14,15,16)(H3,9,11,12,19)
chemicalCompound:standardIn...	PPMAHSHPFYISJI-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Nc1nc(S)c2c(ncn2CCOCP(=O)(O)O)n1
chemicalCompound:molecularF...	C8 H12 N5 O4 P S
chemicalCompound:moleculeId	100906
chemicalCompound:mwFreebase	305.251
chemicalCompound:alogp	-0.272
chemicalCompound:hba	9
chemicalCompound:hbd	4
chemicalCompound:psa	184.98
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	1.639
chemicalCompound:acdLogP	-0.548
chemicalCompound:acdLogD	-4.498
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	305.251
chemicalCompound:acdMostBpk...	9.976
chemicalCompound:chemblId	CHEMBL66142
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:200906
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:526899, activity:526900, activity:526901, activity:526902, activity:526903, activity:526904, activity:526905, activity:526906, activity:526907, activity:526908, activity:526909, activity:526910, activity:526911, activity:526912, activity:526913, activity:526914