1295174

Source:http://linkedlifedata.com/resource/chembl/compound/1295174

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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/C18H22Br2O2/c1-18-7-6-9-10(13(18)4-5-15(18)21)2-3-11-12(9)8-14(19)17(22)16(11)20/h8-10,13,15,21-22H,2-7H2,1H3
chemicalCompound:standardIn...	UTXNYGUZJLLOSP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC12CCC3C(CCc4c(Br)c(O)c(Br)cc34)C1CCC2O
chemicalCompound:molecularF...	C18H22Br2O2
chemicalCompound:moleculeId	1295174
chemicalCompound:mwFreebase	430.174
chemicalCompound:alogp	5.334
chemicalCompound:hba	2
chemicalCompound:hbd	2
chemicalCompound:psa	40.46
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.223
chemicalCompound:acdLogP	7.295
chemicalCompound:acdLogD	6.902
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	430.174
chemicalCompound:chemblId	CHEMBL1973883
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1395174
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:8262575, activity:8268306, activity:8317919, activity:8418781, activity:8482750, activity:8507195, activity:8520701, activity:8563542, activity:8601604, activity:8665212, activity:8671474, activity:8777939, activity:8793590, activity:8798685, activity:8917565, activity:8947399, activity:8985235, activity:9080262, activity:9111248, activity:9198294, activity:9235778, activity:9299788, activity:9369356, activity:9455566, activity:9522515, activity:9696403, activity:9730398, activity:9768308, activity:9796982, activity:9840031, activity:9948490, activity:9988210, activity:10042791, activity:10047396, activity:10094538, activity:10153613, activity:10198000, activity:10290341, activity:10292331, activity:10344917, activity:10391165, activity:10407043, activity:10460480, activity:10512410, activity:10536505, activity:10618308, activity:10633827, activity:10718611, activity:10791394, activity:10811456