180757

Source:http://linkedlifedata.com/resource/chembl/compound/180757

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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/C13H20N2O/c1-4-5-10(2)16-14-11-8-12-6-7-13(9-11)15(12)3/h1,10,12-13H,5-9H2,2-3H3
chemicalCompound:standardIn...	BFBGBOFYCVNXOQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(CC#C)ON=C1CC2CCC(C1)N2C
chemicalCompound:molecularF...	C13 H20 N2 O
chemicalCompound:moleculeId	180757
chemicalCompound:mwFreebase	220.311
chemicalCompound:alogp	2.6
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	24.83
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	2.458
chemicalCompound:acdLogD	1.403
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	220.311
chemicalCompound:acdMostBpk...	8.418
chemicalCompound:chemblId	CHEMBL265521
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:280757
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:353565, activity:353566, activity:353567, activity:353568, activity:353569, activity:353570, activity:353571, activity:353572