706062

Source:http://linkedlifedata.com/resource/chembl/compound/706062

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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:3245
chemicalCompound:standardIn...	InChI=1S/C17H20N2O2.CH3I/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16;1-2/h2-5,10-13,18H,6-9H2,1H3;1H3
chemicalCompound:standardIn...	MEDVSWOAFSVVIF-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CI.CN1C2CCC1CC(C2)OC(=O)c3c[nH]c4ccccc34
chemicalCompound:molecularF...	C18H23IN2O2
chemicalCompound:moleculeId	706062
chemicalCompound:mwFreebase	284.353
chemicalCompound:alogp	2.608
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	45.33
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.033
chemicalCompound:acdLogD	0.525
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	426.292
chemicalCompound:acdMostBpk...	10.004
chemicalCompound:chemblId	CHEMBL1257067
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:806062
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:3485966, activity:3485967, activity:3485968, activity:3485969, activity:3485970, activity:3485971, activity:3485972, activity:3491183