1249148

Source:http://linkedlifedata.com/resource/chembl/compound/1249148

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:251
chemicalCompound:standardIn...	InChI=1S/C18H15N3O2.ClH/c1-2-8-19-13(4-1)17-18(21-9-3-5-16(21)20-17)12-6-7-14-15(10-12)23-11-22-14;/h1-2,4,6-8,10H,3,5,9,11H2;1H
chemicalCompound:standardIn...	MANCZWLKICJSHK-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.C1Cc2nc(c3ccccn3)c(c4ccc5OCOc5c4)n2C1
chemicalCompound:molecularF...	C18H16ClN3O2
chemicalCompound:moleculeId	1249148
chemicalCompound:mwFreebase	305.331
chemicalCompound:alogp	3.242
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	49.17
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.77
chemicalCompound:acdLogD	2.77
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	341.792
chemicalCompound:acdMostBpk...	4.402
chemicalCompound:chemblId	CHEMBL1909377
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1349148
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:8159876, activity:8159877, activity:8159878, activity:8159879, activity:8159880, activity:8159881, activity:8159882, activity:8159883, activity:8159884, activity:8159885, activity:8159886, activity:8159887, activity:8159888, activity:8159889, activity:8159890, activity:8159891, activity:8159892, activity:8159893, activity:8159894, activity:8159895, activity:8159896, activity:8159897, activity:8159898, activity:8159899, activity:8159900, activity:8159901, activity:8159902, activity:8159903, activity:8159904, activity:8159905, activity:8159906, activity:8159907, activity:8159908, activity:8159909, activity:8159910, activity:8159911, activity:8159912, activity:8159913, activity:8159914, activity:8159915, activity:8159916, activity:8159917, activity:8159918, activity:8159919, activity:8159920, activity:8159921, activity:8159922, activity:8159923, activity:8159924, activity:8159925, activity:8159926, activity:8159927, activity:8159928, activity:8159929, activity:8159930, activity:8159931, activity:8159932, activity:8159933, activity:8159934, activity:8159935, activity:8159936, activity:8159937, activity:8159938, activity:8159939, activity:8159940, activity:8159941