194118

Source:http://linkedlifedata.com/resource/chembl/compound/194118

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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/C11H12I2N4O/c12-7-2-5(3-8(13)9(7)18)1-6-4-16-11(15)17-10(6)14/h2-3,6,18H,1,4H2,(H4,14,15,16,17)
chemicalCompound:standardIn...	FKVKQXNEQNABEB-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NC1=NCC(Cc2cc(I)c(O)c(I)c2)C(=N1)N
chemicalCompound:molecularF...	C11 H12 I2 N4 O
chemicalCompound:moleculeId	194118
chemicalCompound:mwFreebase	470.048
chemicalCompound:alogp	2.062
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	96.99
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	6.994
chemicalCompound:acdLogP	2.201
chemicalCompound:acdLogD	-0.088
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	470.048
chemicalCompound:acdMostBpk...	15.692
chemicalCompound:chemblId	CHEMBL117584
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:294118
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:902544