13513

Source:http://linkedlifedata.com/resource/chembl/compound/13513

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C24H22FN5O/c25-18-8-6-17(7-9-18)22-23(30(16-28-22)19-10-13-26-14-11-19)21-12-15-27-24(29-21)31-20-4-2-1-3-5-20/h1-9,12,15-16,19,26H,10-11,13-14H2
chemicalCompound:standardIn...	MLNSFBMGRWGGII-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Fc1ccc(cc1)c2ncn(C3CCNCC3)c2c4ccnc(Oc5ccccc5)n4
chemicalCompound:molecularF...	C24H22FN5O
chemicalCompound:moleculeId	13513
chemicalCompound:mwFreebase	415.463
chemicalCompound:alogp	4.191
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	64.86
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.22
chemicalCompound:acdLogD	-0.227
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	415.463
chemicalCompound:acdMostBpk...	9.909
chemicalCompound:chemblId	CHEMBL275798
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:113513
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:420119, activity:420120, activity:1158861, activity:6218567, activity:6218611, activity:7365349, activity:8087910, activity:8087911, activity:8087912, activity:8087913, activity:8087914, activity:8087915, activity:8087916, activity:8087917, activity:8087918, activity:8087919, activity:8087920, activity:8087921, activity:8087922, activity:8087923, activity:8087924, activity:8087925, activity:8087926, activity:8087927, activity:8087928, activity:8087929, activity:8087930, activity:8087931, activity:8087932, activity:8087933, activity:8087934, activity:8087935, activity:8087936, activity:8087937, activity:8087938, activity:8087939, activity:8087940, activity:8087941, activity:8087942, activity:8087943, activity:8087944, activity:8087945, activity:8087946, activity:8087947, activity:8087948, activity:8087949, activity:8087950, activity:8087951, activity:8087952, activity:8087953, activity:8087954, activity:8087955, activity:8087956, activity:8087957, activity:8087958, activity:8092059, activity:8092060, activity:8092061, activity:8092062, activity:8092063, activity:8092064, activity:8092065, activity:8092066, activity:8092067, activity:8092068, activity:8092069, activity:8092070