313033

Source:http://linkedlifedata.com/resource/chembl/compound/313033

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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/C25H17F3N6O2/c26-25(27,28)16-4-1-3-15(13-16)23-22(19-5-2-9-30-34(19)33-23)18-8-10-29-24(32-18)31-17-6-7-20-21(14-17)36-12-11-35-20/h1-10,13-14H,11-12H2,(H,29,31,32)
chemicalCompound:standardIn...	OIPORLPSIAFDJE-UHFFFAOYSA-N
chemicalCompound:canonicalS...	FC(F)(F)c1cccc(c1)c2nn3ncccc3c2c4ccnc(Nc5ccc6OCCOc6c5)n4
chemicalCompound:molecularF...	C25H17F3N6O2
chemicalCompound:moleculeId	313033
chemicalCompound:mwFreebase	490.437
chemicalCompound:alogp	5.505
chemicalCompound:hba	7
chemicalCompound:hbd	1
chemicalCompound:psa	86.46
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.598
chemicalCompound:acdLogD	4.598
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	490.437
chemicalCompound:acdMostBpk...	1.531
chemicalCompound:chemblId	CHEMBL362155
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:413033
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:1467955, activity:1467956, activity:7342392, activity:8064002, activity:8064003, activity:8064004, activity:8064005, activity:8064006, activity:8064007, activity:8064008, activity:8064009, activity:8064010, activity:8064011, activity:8064012, activity:8064013, activity:8064014, activity:8064015, activity:8064016, activity:8064017, activity:8064018, activity:8064019, activity:8064020, activity:8064021, activity:8064022, activity:8064023, activity:8064024, activity:8064025, activity:8064026, activity:8064027, activity:8064028, activity:8064029, activity:8064030, activity:8064031, activity:8064032, activity:8064033, activity:8064034, activity:8064035, activity:8064036, activity:8064037, activity:8064038, activity:8064039, activity:8064040, activity:8064041, activity:8064042, activity:8064043, activity:8064044, activity:8064045, activity:8064046, activity:8064047, activity:8064048, activity:8064049, activity:8064050, activity:8064051, activity:8064052, activity:8064053, activity:8064054, activity:8064055, activity:8064056, activity:8064057, activity:8064058, activity:8064059, activity:8064060, activity:8064061, activity:8064062, activity:8064063, activity:8064064, activity:8064065