81691

Source:http://linkedlifedata.com/resource/chembl/compound/81691

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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/C12H10IN5O/c1-6-2-3-7(4-9(6)13)15-12-16-10-8(5-14-18-10)11(19)17-12/h2-5H,1H3,(H3,14,15,16,17,18,19)
chemicalCompound:standardIn...	CJJRXZGFMZQOFX-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1ccc(Nc2nc(O)c3c[nH]nc3n2)cc1I
chemicalCompound:molecularF...	C12 H10 I N5 O
chemicalCompound:moleculeId	81691
chemicalCompound:mwFreebase	367.145
chemicalCompound:alogp	2.823
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	86.72
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.802
chemicalCompound:acdLogP	1.815
chemicalCompound:acdLogD	0.625
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	367.145
chemicalCompound:acdMostBpk...	7.525
chemicalCompound:chemblId	CHEMBL52957
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:181691
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:47101, activity:47102, activity:47103, activity:47104, activity:47105, activity:47106