100907

Source:http://linkedlifedata.com/resource/chembl/compound/100907

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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/C8H12N5O5P/c9-6-5-7(12-8(14)11-6)13(3-10-5)1-2-18-4-19(15,16)17/h3H,1-2,4H2,(H2,15,16,17)(H3,9,11,12,14)
chemicalCompound:standardIn...	DWJABXKIXZHSFB-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Nc1nc(O)nc2c1ncn2CCOCP(=O)(O)O
chemicalCompound:molecularF...	C8 H12 N5 O5 P
chemicalCompound:moleculeId	100907
chemicalCompound:mwFreebase	289.185
chemicalCompound:alogp	-0.87
chemicalCompound:hba	9
chemicalCompound:hbd	4
chemicalCompound:psa	166.42
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	1.61
chemicalCompound:acdLogP	-1.704
chemicalCompound:acdLogD	-5.644
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	289.185
chemicalCompound:acdMostBpk...	9.735
chemicalCompound:chemblId	CHEMBL66354
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:200907
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:517739, activity:517740, activity:517741, activity:517742, activity:517743, activity:517744, activity:517745, activity:517746, activity:517747, activity:517748, activity:517749, activity:517750, activity:517751, activity:517752