182183

Source:http://linkedlifedata.com/resource/chembl/compound/182183

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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/C15H20INO2/c1-3-19-14(18)15(8-10-17(2)11-9-15)12-4-6-13(16)7-5-12/h4-7H,3,8-11H2,1-2H3
chemicalCompound:standardIn...	BNYWEVINFWDOAV-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCOC(=O)C1(CCN(C)CC1)c2ccc(I)cc2
chemicalCompound:molecularF...	C15 H20 I N O2
chemicalCompound:moleculeId	182183
chemicalCompound:mwFreebase	373.229
chemicalCompound:alogp	3.023
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	29.54
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.416
chemicalCompound:acdLogD	2.953
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	373.229
chemicalCompound:acdMostBpk...	7.681
chemicalCompound:chemblId	CHEMBL113479
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:282183
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:98327, activity:98328, activity:98329