547589

Source:http://linkedlifedata.com/resource/chembl/compound/547589

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:669037
chemicalCompound:standardIn...	InChI=1S/C16H18INO.ClH/c1-18-12-11-15(13-7-3-2-4-8-13)19-16-10-6-5-9-14(16)17;/h2-10,15,18H,11-12H2,1H3;1H/t15-;/m0./s1
chemicalCompound:standardIn...	JIZARGCCECGFSP-RSAXXLAASA-N
chemicalCompound:canonicalS...	Cl.CNCC[C@H](Oc1ccccc1I)c2ccccc2
chemicalCompound:molecularF...	C16H19ClINO
chemicalCompound:moleculeId	547589
chemicalCompound:mwFreebase	367.225
chemicalCompound:alogp	3.669
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	21.26
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.338
chemicalCompound:acdLogD	1.764
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	403.686
chemicalCompound:acdMostBpk...	10.126
chemicalCompound:chemblId	CHEMBL553823
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:647589
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:441568, activity:441569