9808

Source:http://linkedlifedata.com/resource/chembl/compound/9808

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
chemicalCompound:standardIn...	InChI=1S/C14H17N3O/c18-14-16-12-3-1-2-10-6-11(8-17(14)13(10)12)15-7-9-4-5-9/h1-3,9,11,15H,4-8H2,(H,16,18)
chemicalCompound:standardIn...	BZPXXRXAIGZHIA-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Oc1nc2cccc3CC(Cn1c23)NCC4CC4
chemicalCompound:molecularF...	C14 H17 N3 O
chemicalCompound:moleculeId	9808
chemicalCompound:mwFreebase	243.304
chemicalCompound:alogp	2.377
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	50.08
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	0.949
chemicalCompound:acdLogP	2.424
chemicalCompound:acdLogD	-0.746
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	243.304
chemicalCompound:acdMostBpk...	9.866
chemicalCompound:chemblId	CHEMBL276468
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:109808
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No