653931

Source:http://linkedlifedata.com/resource/chembl/compound/653931

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
chemicalCompound:standardIn...	InChI=1S/C21H26N/c1-14-19(13-22(2,3)4)21-17-11-7-5-9-15(17)20(14)16-10-6-8-12-18(16)21/h5-12,14,19-21H,13H2,1-4H3/q+1
chemicalCompound:standardIn...	BYRDVUOMLBWELU-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC1C(C[N+](C)(C)C)C2c3ccccc3C1c4ccccc24
chemicalCompound:molecularF...	C21H26N
chemicalCompound:moleculeId	653931
chemicalCompound:mwFreebase	292.438
chemicalCompound:alogp	2.749
chemicalCompound:hba	0
chemicalCompound:hbd	0
chemicalCompound:psa	0
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	-0.739
chemicalCompound:acdLogD	-0.739
chemicalCompound:fullMwt	292.438
chemicalCompound:chemblId	CHEMBL1179981
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:753931
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No