255408

Source:http://linkedlifedata.com/resource/chembl/compound/255408

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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:255408_AAL-993_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C20H16F3N3O/c21-20(22,23)15-4-3-5-16(12-15)26-19(27)17-6-1-2-7-18(17)25-13-14-8-10-24-11-9-14/h1-12,25H,13H2,(H,26,27)
chemicalCompound:standardIn...	BLAFVGLBBOPRLP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	FC(F)(F)c1cccc(NC(=O)c2ccccc2NCc3ccncc3)c1
chemicalCompound:molecularF...	C20H16F3N3O
chemicalCompound:moleculeId	255408
chemicalCompound:mwFreebase	371.356
chemicalCompound:alogp	3.798
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	54.02
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.951
chemicalCompound:acdLogP	4.025
chemicalCompound:acdLogD	4.022
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	371.356
chemicalCompound:acdMostBpk...	5.34
chemicalCompound:chemblId	CHEMBL153843
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:355408
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:1152809, activity:1152810, activity:1152811, activity:1152812, activity:1152813, activity:1152814, activity:1152815, activity:1152816, activity:1152817, activity:1152818, activity:1152819, activity:1152820, activity:1152821, activity:1152822, activity:1152823, activity:1152824, activity:1152825, activity:1152826, activity:1152827, activity:1152828, activity:1152829, activity:1152830, activity:1152831, activity:1677616, activity:1677620, activity:1677624, activity:1694653, activity:1694657, activity:1694661, activity:1698236, activity:1698275, activity:1706304, activity:1708039, activity:1708838, activity:1708951, activity:1769012, activity:1769015, activity:1769116, activity:2018101, activity:2018151, activity:2018198, activity:2018259, activity:2071557, activity:2071565, activity:2071572, activity:2071589, activity:2071599, activity:2166439, activity:2166449, activity:2288954, activity:2288955, activity:2288956, activity:2289038, activity:2289039, activity:2289040, activity:2602363, activity:2602395, activity:2602427, activity:2602464, activity:2603015, activity:2603016, activity:2603017, activity:3418614, activity:3447165, activity:3447167