606994

Source:http://linkedlifedata.com/resource/chembl/compound/606994

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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/C9H11IN2O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)/t4-,5-,6+,8?/m1/s1
chemicalCompound:standardIn...	RKSLVDIXBGWPIS-KQTDWGMTSA-N
chemicalCompound:canonicalS...	OC[C@H]1OC([C@@H](O)[C@@H]1O)N2C=C(I)C(=O)NC2=O
chemicalCompound:molecularF...	C9H11IN2O6
chemicalCompound:moleculeId	606994
chemicalCompound:mwFreebase	370.098
chemicalCompound:alogp	-2.168
chemicalCompound:hba	6
chemicalCompound:hbd	4
chemicalCompound:psa	119.33
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	7.943
chemicalCompound:acdLogP	-0.916
chemicalCompound:acdLogD	-1.048
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	370.098
chemicalCompound:chemblId	CHEMBL609821
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:706994
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:178955, activity:178956, activity:178957, activity:477160, activity:477161, activity:477162, activity:477163, activity:624656, activity:624657