186858

Source:http://linkedlifedata.com/resource/chembl/compound/186858

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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/C20H17I2N3O5/c21-14-5-10(7-16(23)20(28)29)6-15(22)19(14)30-13-2-3-17(26)11(9-13)8-12-1-4-18(27)25-24-12/h1-6,9,16,26H,7-8,23H2,(H,25,27)(H,28,29)/t16-/m0/s1
chemicalCompound:standardIn...	DSXXSNNPQQVNCF-INIZCTEOSA-N
chemicalCompound:canonicalS...	N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(Cc3ccc(O)nn3)c2)c(I)c1)C(=O)O
chemicalCompound:molecularF...	C20H17I2N3O5
chemicalCompound:moleculeId	186858
chemicalCompound:mwFreebase	633.175
chemicalCompound:alogp	1.53
chemicalCompound:hba	8
chemicalCompound:hbd	4
chemicalCompound:psa	138.79
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	2.135
chemicalCompound:acdLogP	2.044
chemicalCompound:acdLogD	-0.51
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	633.175
chemicalCompound:acdMostBpk...	10.452
chemicalCompound:chemblId	CHEMBL111892
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:286858
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:736497, activity:736498, activity:736499, activity:736500, activity:736501, activity:736502, activity:736503, activity:736504, activity:736505