100889

Source:http://linkedlifedata.com/resource/chembl/compound/100889

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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/C8H12BrN6O4P/c9-7-12-4-5(10)13-8(11)14-6(4)15(7)1-2-19-3-20(16,17)18/h1-3H2,(H2,16,17,18)(H4,10,11,13,14)
chemicalCompound:standardIn...	FXQPIPSQZODAMX-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Nc1nc(N)c2nc(Br)n(CCOCP(=O)(O)O)c2n1
chemicalCompound:molecularF...	C8 H12 Br N6 O4 P
chemicalCompound:moleculeId	100889
chemicalCompound:mwFreebase	367.096
chemicalCompound:alogp	-0.39
chemicalCompound:hba	9
chemicalCompound:hbd	4
chemicalCompound:psa	172.2
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	1.607
chemicalCompound:acdLogP	0.336
chemicalCompound:acdLogD	-3.585
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	367.096
chemicalCompound:acdMostBpk...	4.148
chemicalCompound:chemblId	CHEMBL303359
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:200889
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:540257, activity:540258, activity:540259, activity:540260, activity:540261, activity:540262, activity:540263, activity:540264, activity:540265, activity:540266, activity:540267, activity:540268, activity:540269, activity:540270, activity:540271, activity:540272, activity:540273, activity:540274