940231

Source:http://linkedlifedata.com/resource/chembl/compound/940231

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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/C12H18N2O/c1-2-3-9-4-6-10(7-5-9)11(8-13)12(14)15/h9H,2-7H2,1H3,(H2,14,15)/b11-10-
chemicalCompound:standardIn...	POIYWECMXXIMQT-KHPPLWFESA-N
chemicalCompound:canonicalS...	CCCC1CCC(=C(C#N)C(=O)N)CC1
chemicalCompound:molecularF...	C12H18N2O
chemicalCompound:moleculeId	940231
chemicalCompound:mwFreebase	206.284
chemicalCompound:alogp	2.714
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	66.88
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.983
chemicalCompound:acdLogD	2.983
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	206.284
chemicalCompound:chemblId	CHEMBL1516347
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1040231
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:4711947, activity:4773286, activity:7033791