824180

Source:http://linkedlifedata.com/resource/chembl/compound/824180

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C15H18N2O2/c1-11(18)17-13-8-4-3-7-12(13)14(19)15(17)16-9-5-2-6-10-16/h3-4,7-8,15H,2,5-6,9-10H2,1H3
chemicalCompound:standardIn...	FXXSUHOQMCITHR-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(=O)N1C(N2CCCCC2)C(=O)c3ccccc13
chemicalCompound:molecularF...	C15H18N2O2
chemicalCompound:moleculeId	824180
chemicalCompound:mwFreebase	258.316
chemicalCompound:alogp	2.056
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	40.62
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.544
chemicalCompound:acdLogD	4.536
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	258.316
chemicalCompound:acdMostBpk...	5.652
chemicalCompound:chemblId	CHEMBL1400296
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:924180
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:3686560, activity:3704009, activity:4142601, activity:4462519, activity:4633450, activity:4730960, activity:4820872, activity:5507149, activity:5747804, activity:6495887, activity:6617053, activity:7200919, activity:7535218