218014

Source:http://linkedlifedata.com/resource/chembl/compound/218014

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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/C22H24IN4O8P/c1-13(29)24-18(10-14-4-8-17(9-5-14)35-36(31,32)33)21(30)25-19(12-28)22-26-20(27-34-22)11-15-2-6-16(23)7-3-15/h2-9,18-19,28H,10-12H2,1H3,(H,24,29)(H,25,30)(H2,31,32,33)/t18-,19-/m0/s1
chemicalCompound:standardIn...	ZSYUVPLOTDUNMR-OALUTQOASA-N
chemicalCompound:canonicalS...	CC(=O)N[C@@H](Cc1ccc(OP(=O)(O)O)cc1)C(=O)N[C@@H](CO)c2onc(Cc3ccc(I)cc3)n2
chemicalCompound:molecularF...	C22 H24 I N4 O8 P
chemicalCompound:moleculeId	218014
chemicalCompound:mwFreebase	630.326
chemicalCompound:alogp	1.353
chemicalCompound:hba	9
chemicalCompound:hbd	5
chemicalCompound:psa	193.91
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	1.268
chemicalCompound:acdLogP	0.268
chemicalCompound:acdLogD	-3.626
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	630.326
chemicalCompound:chemblId	CHEMBL132006
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:318014
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:947208, activity:947209, activity:947210