205648

Source:http://linkedlifedata.com/resource/chembl/compound/205648

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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:205648_GNF-PF-2110_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C18H21N3/c1-21(2)13-7-12-19-18-14-8-3-5-10-16(14)20-17-11-6-4-9-15(17)18/h3-6,8-11H,7,12-13H2,1-2H3,(H,19,20)
chemicalCompound:standardIn...	VJGUBCUGFXDMEX-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN(C)CCCNc1c2ccccc2nc3ccccc13
chemicalCompound:molecularF...	C18H21N3
chemicalCompound:moleculeId	205648
chemicalCompound:mwFreebase	279.379
chemicalCompound:alogp	3.363
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	28.16
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.115
chemicalCompound:acdLogD	-0.025
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	279.379
chemicalCompound:acdMostBpk...	9.481
chemicalCompound:chemblId	CHEMBL124006
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:305648
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:715075, activity:715076, activity:715077, activity:715078, activity:2812127, activity:2838595, activity:2849020, activity:2860153, activity:2860192, activity:2872616, activity:3023848, activity:3030745, activity:3032763, activity:3034500, activity:3048145, activity:3051636, activity:3788332, activity:3874919, activity:3953735, activity:4102330, activity:4289471, activity:4368241, activity:4445055, activity:4490448, activity:4643457, activity:4705072, activity:4709934, activity:4775630, activity:4855564, activity:5001022, activity:5012563, activity:5020738, activity:5067846, activity:5335900, activity:5393817, activity:5468625, activity:5553553, activity:5561874, activity:5567208, activity:5627686, activity:5797154, activity:5931328, activity:6235095, activity:6478590, activity:6721858, activity:6851329, activity:6855903, activity:6872507, activity:7008587, activity:7078357, activity:7105824, activity:7250491, activity:7447144, activity:7459930, activity:7522180, activity:7559084, activity:8291959, activity:10315234, activity:10612515