5661

Source:http://linkedlifedata.com/resource/chembl/compound/5661

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:5661_NSC-601316_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C18H19N3O/c1-21(2)11-10-19-18(22)15-8-5-7-14-12-13-6-3-4-9-16(13)20-17(14)15/h3-9,12H,10-11H2,1-2H3,(H,19,22)
chemicalCompound:standardIn...	XBGNERSKEKDZDS-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN(C)CCNC(=O)c1cccc2cc3ccccc3nc12
chemicalCompound:molecularF...	C18H19N3O
chemicalCompound:moleculeId	5661
chemicalCompound:mwFreebase	293.363
chemicalCompound:alogp	2.699
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	45.23
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.604
chemicalCompound:acdLogP	3.477
chemicalCompound:acdLogD	2.904
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	293.363
chemicalCompound:acdMostBpk...	8.36
chemicalCompound:chemblId	CHEMBL9940
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:105661
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:143247, activity:143248, activity:143249, activity:143250, activity:143251, activity:143252, activity:143253, activity:143254, activity:143255, activity:187661, activity:187662, activity:187663, activity:187664, activity:187665, activity:193930, activity:193931, activity:193932, activity:193933, activity:193934, activity:193935, activity:193936, activity:193937, activity:199749, activity:199750, activity:199751, activity:199752, activity:199753, activity:199754, activity:199755, activity:199756, activity:578882, activity:578883, activity:578884, activity:578885, activity:578886, activity:578887, activity:578888, activity:703300, activity:703301, activity:703302, activity:703303, activity:703304, activity:703305, activity:873682, activity:873683, activity:873684, activity:873685, activity:873686, activity:873687, activity:873688, activity:912021, activity:912022, activity:912023, activity:912024, activity:912025, activity:922899, activity:922900, activity:922901, activity:922902, activity:922903, activity:964999, activity:965000, activity:965001, activity:965002, activity:1090000