355067

Source:http://linkedlifedata.com/resource/chembl/compound/355067

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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/C19H13F3N6O2/c20-19(21,22)11-2-1-3-13(8-11)27-18(29)26-12-6-4-10(5-7-12)15-14-16(23)24-9-25-17(14)30-28-15/h1-9H,(H2,23,24,25)(H2,26,27,29)
chemicalCompound:standardIn...	ZXLFIHLBHMLHFJ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Nc1ncnc2onc(c3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)cc3)c12
chemicalCompound:molecularF...	C19 H13 F3 N6 O2
chemicalCompound:moleculeId	355067
chemicalCompound:mwFreebase	414.341
chemicalCompound:alogp	3.278
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	118.96
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.465
chemicalCompound:acdLogP	3.766
chemicalCompound:acdLogD	3.766
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	414.341
chemicalCompound:acdMostBpk...	3.364
chemicalCompound:chemblId	CHEMBL213505
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:455067
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:1753660, activity:1753750, activity:9507419, activity:9516248, activity:9519322, activity:9519925, activity:9520424, activity:9520644, activity:9523644, activity:9523667, activity:9525001, activity:9532518, activity:9532735, activity:9532857, activity:9533224, activity:9535922, activity:9536181, activity:9536428, activity:9539819, activity:9544713, activity:9544983, activity:9545309, activity:9548193, activity:9549273, activity:9552465, activity:9552656, activity:9557224, activity:9557606, activity:9557750, activity:9560976, activity:9561337, activity:9565648, activity:9568718, activity:9570243, activity:9572088, activity:9574713, activity:9575088, activity:9575440, activity:9576109, activity:9576444, activity:9577567, activity:9578113, activity:9578303, activity:9579542, activity:9581267, activity:9581604, activity:9582642, activity:9583047, activity:9583586, activity:9583877, activity:9584073, activity:9584463, activity:9586574, activity:9589043, activity:9589173, activity:9589940, activity:9591932, activity:9592247, activity:9593333, activity:9593439, activity:9594085, activity:9594364, activity:9594681, activity:9595161, activity:9595952, activity:9596279