1049280

Source:http://linkedlifedata.com/resource/chembl/compound/1049280

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
chemicalCompound:standardIn...	InChI=1S/C17H21N3/c1-19(2)15-9-5-13(6-10-15)17(18)14-7-11-16(12-8-14)20(3)4/h5-12,18H,1-4H3
chemicalCompound:standardIn...	JPIYZTWMUGTEHX-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN(C)c1ccc(cc1)C(=N)c2ccc(cc2)N(C)C
chemicalCompound:molecularF...	C17H21N3
chemicalCompound:moleculeId	1049280
chemicalCompound:mwFreebase	267.369
chemicalCompound:alogp	3.613
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	30.33
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.318
chemicalCompound:acdLogD	1.356
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	267.369
chemicalCompound:acdMostBpk...	10.124
chemicalCompound:chemblId	CHEMBL1626329
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1149280
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:51874