675251

Source:http://linkedlifedata.com/resource/chembl/compound/675251

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:675251_Iotalamic Acid_BAN, synonym:675251_Iotalamic Acid_INN, synonym:675251_Iotalamic Acid_JAN, synonym:675251_Iothalamic Acid_USAN, synonym:675251_MI-216_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C11H9I3N2O4/c1-3(17)16-9-7(13)4(10(18)15-2)6(12)5(8(9)14)11(19)20/h1-2H3,(H,15,18)(H,16,17)(H,19,20)
chemicalCompound:standardIn...	UXIGWFXRQKWHHA-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CNC(=O)c1c(I)c(NC(=O)C)c(I)c(C(=O)O)c1I
chemicalCompound:molecularF...	C11H9I3N2O4
chemicalCompound:moleculeId	675251
chemicalCompound:mwFreebase	613.914
chemicalCompound:alogp	1.522
chemicalCompound:hba	4
chemicalCompound:hbd	3
chemicalCompound:psa	95.5
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	0.782
chemicalCompound:acdLogP	-0.056
chemicalCompound:acdLogD	-3.206
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	613.914
chemicalCompound:chemblId	CHEMBL1201300
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:775251
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	Yes
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	IOTHALAMIC ACID
chemicalCompound:activity	activity:5079750, activity:5080879, activity:5081072, activity:5081136, activity:5081704, activity:5170242, activity:5328961, activity:7837658, activity:7837659, activity:7837660, activity:7837661, activity:7837662, activity:7837663, activity:7837664, activity:7837665, activity:7837666, activity:7837667, activity:7837668, activity:7837669, activity:7837670, activity:7837671, activity:8040986, activity:8040995, activity:8041004, activity:8041010