822010

Source:http://linkedlifedata.com/resource/chembl/compound/822010

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:89526
chemicalCompound:standardIn...	InChI=1S/C6H8ClN7O.ClH.2H2O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11;;;/h(H4,8,9,13)(H4,10,11,14,15);1H;2*1H2
chemicalCompound:standardIn...	LTKVFMLMEYCWMK-UHFFFAOYSA-N
chemicalCompound:canonicalS...	O.O.Cl.NC(=N)NC(=O)c1nc(Cl)c(N)nc1N
chemicalCompound:molecularF...	C6H13Cl2N7O3
chemicalCompound:moleculeId	822010
chemicalCompound:mwFreebase	229.627
chemicalCompound:alogp	-0.748
chemicalCompound:hba	6
chemicalCompound:hbd	5
chemicalCompound:psa	156.79
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.809
chemicalCompound:acdLogP	0.925
chemicalCompound:acdLogD	0.711
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	302.118
chemicalCompound:acdMostBpk...	3.776
chemicalCompound:chemblId	CHEMBL1398126
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:922010
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:2640
chemicalCompound:activity	activity:3662832, activity:3715791, activity:3741603, activity:4006733, activity:4016136, activity:4191080, activity:4813012, activity:4853178, activity:5335025, activity:5990642, activity:6007268, activity:6011900, activity:6018224, activity:6019088