3402

Source:http://linkedlifedata.com/resource/chembl/compound/3402

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
chemicalCompound:standardIn...	InChI=1S/C18H21N3O/c1-20-10-15(14-4-2-3-5-16(14)20)17-19-11-18(22-17)12-21-8-6-13(18)7-9-21/h2-5,10,13H,6-9,11-12H2,1H3
chemicalCompound:standardIn...	GJZYDYYJSGXPCE-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cn1cc(C2=NCC3(CN4CCC3CC4)O2)c5ccccc15
chemicalCompound:molecularF...	C18 H21 N3 O
chemicalCompound:moleculeId	3402
chemicalCompound:mwFreebase	295.379
chemicalCompound:alogp	2.656
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	29.76
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.486
chemicalCompound:acdLogD	-0.489
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	295.379
chemicalCompound:acdMostBpk...	11.287
chemicalCompound:chemblId	CHEMBL269161
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:103402
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No