365445

Source:http://linkedlifedata.com/resource/chembl/compound/365445

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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/C19H16FN5O2/c1-10-16(17(24-19(27)22-10)11-2-4-13(20)5-3-11)18(26)23-14-6-7-15-12(8-14)9-21-25-15/h2-9,17H,1H3,(H,21,25)(H,23,26)(H2,22,24,27)
chemicalCompound:standardIn...	HEAIGWIZTYAQTC-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC1=C(C(NC(=O)N1)c2ccc(F)cc2)C(=O)Nc3ccc4[nH]ncc4c3
chemicalCompound:molecularF...	C19H16FN5O2
chemicalCompound:moleculeId	365445
chemicalCompound:mwFreebase	365.361
chemicalCompound:alogp	1.843
chemicalCompound:hba	3
chemicalCompound:hbd	4
chemicalCompound:psa	98.91
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	11.296
chemicalCompound:acdLogP	1.998
chemicalCompound:acdLogD	1.998
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	365.361
chemicalCompound:acdMostBpk...	0.897
chemicalCompound:chemblId	CHEMBL384073
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:465445
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:1800714, activity:1800715, activity:1800716, activity:1800717, activity:1800730, activity:1800731, activity:1800732, activity:1800733, activity:1800734, activity:1800807, activity:1803387, activity:2476016, activity:2476028, activity:2476029, activity:2476030, activity:2476035, activity:2476036, activity:2476037, activity:8168070, activity:8168071, activity:8168072, activity:8168073, activity:8168074, activity:8168075, activity:8168076, activity:8168077, activity:8168078, activity:8168079, activity:8168080, activity:8168081, activity:8168082, activity:8168083, activity:8168084, activity:8168085, activity:8168086, activity:8168087, activity:8168088, activity:8168089, activity:8168090, activity:8168091, activity:8168092, activity:8168093, activity:8168094, activity:8168095, activity:8168096, activity:8168097, activity:8168098, activity:8168099, activity:8168100, activity:8168101, activity:8168102, activity:8168103, activity:8168104, activity:8168105, activity:8168106, activity:8168107, activity:8168108, activity:8168109, activity:8168110, activity:8168111, activity:8168112, activity:8168113, activity:8168114, activity:8168115, activity:8168116, activity:8168117