643617

Source:http://linkedlifedata.com/resource/chembl/compound/643617

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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/C9H15IN3O14P3/c10-3-1-13(12-5(3)8(11)16)9-7(15)6(14)4(25-9)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h1,4,6-7,9,14-15H,2H2,(H2,11,16)(H,20,21)(H,22,23)(H2,17,18,19)/t4-,6-,7-,9-/m1/s1
chemicalCompound:standardIn...	ZYGATAVIBXNSEW-FJGDRVTGSA-N
chemicalCompound:canonicalS...	NC(=O)c1nn(cc1I)[C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O
chemicalCompound:molecularF...	C9H15IN3O14P3
chemicalCompound:moleculeId	643617
chemicalCompound:mwFreebase	609.053
chemicalCompound:alogp	-1.801
chemicalCompound:hba	15
chemicalCompound:hbd	7
chemicalCompound:psa	299.84
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	3
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	0.973
chemicalCompound:acdLogP	-4.874
chemicalCompound:acdLogD	-10.885
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	609.053
chemicalCompound:chemblId	CHEMBL1162078
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:743617
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:2063891, activity:2063892, activity:2063897, activity:2063898, activity:2063906, activity:2063909