7633

Source:http://linkedlifedata.com/resource/chembl/compound/7633

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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/C12H18NO2/c1-13(2)8-9-15-12(14,10-13)11-6-4-3-5-7-11/h3-7,14H,8-10H2,1-2H3/q+1
chemicalCompound:standardIn...	BIGNZUAOMJYPRO-UHFFFAOYSA-N
chemicalCompound:canonicalS...	C[N+]1(C)CCOC(O)(C1)c2ccccc2
chemicalCompound:molecularF...	C12H18NO2
chemicalCompound:moleculeId	7633
chemicalCompound:mwFreebase	208.277
chemicalCompound:alogp	-0.125
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	29.46
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.822
chemicalCompound:acdLogP	-1.531
chemicalCompound:acdLogD	-1.526
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	208.277
chemicalCompound:chemblId	CHEMBL10731
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:107633
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:348162, activity:1253483