180754

Source:http://linkedlifedata.com/resource/chembl/compound/180754

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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/C9H16N2O/c1-11-8-3-4-9(11)6-7(5-8)10-12-2/h8-9H,3-6H2,1-2H3
chemicalCompound:standardIn...	RLKNBBVRNYWBCS-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CON=C1CC2CCC(C1)N2C
chemicalCompound:molecularF...	C9 H16 N2 O
chemicalCompound:moleculeId	180754
chemicalCompound:mwFreebase	168.236
chemicalCompound:alogp	0.709
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	24.83
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	1.667
chemicalCompound:acdLogD	0.543
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	168.236
chemicalCompound:acdMostBpk...	8.494
chemicalCompound:chemblId	CHEMBL111679
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:280754
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:364916, activity:364917, activity:364918, activity:364919, activity:364920, activity:364921, activity:364922, activity:364923