733580

Source:http://linkedlifedata.com/resource/chembl/compound/733580

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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/C18H23N3O/c1-13-9-14(2)12-20(11-13)18(22)17-10-15(3)19-21(17)16-7-5-4-6-8-16/h4-8,10,13-14H,9,11-12H2,1-3H3
chemicalCompound:standardIn...	RWIRGSKAJADDSB-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC1CC(C)CN(C1)C(=O)c2cc(C)nn2c3ccccc3
chemicalCompound:molecularF...	C18H23N3O
chemicalCompound:moleculeId	733580
chemicalCompound:mwFreebase	297.395
chemicalCompound:alogp	3.6
chemicalCompound:hba	2
chemicalCompound:hbd	0
chemicalCompound:psa	38.13
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.918
chemicalCompound:acdLogD	3.918
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	297.395
chemicalCompound:chemblId	CHEMBL1309696
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:833580
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:3934283, activity:4377798, activity:4685512, activity:4731317, activity:5650326, activity:5891067, activity:6513056, activity:7040823, activity:7307235