1313597

Source:http://linkedlifedata.com/resource/chembl/compound/1313597

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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/C21H17F3N4O3/c1-25-19(29)18-12-17(9-10-26-18)31-16-7-5-14(6-8-16)27-20(30)28-15-4-2-3-13(11-15)21(22,23)24/h2-12H,1H3,(H,25,29)(H2,27,28,30)
chemicalCompound:standardIn...	WFTZMAAMCVPJJT-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cccc(c3)C(F)(F)F)cc2)ccn1
chemicalCompound:molecularF...	C21H17F3N4O3
chemicalCompound:moleculeId	1313597
chemicalCompound:mwFreebase	430.38
chemicalCompound:alogp	3.511
chemicalCompound:hba	4
chemicalCompound:hbd	3
chemicalCompound:psa	92.35
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.387
chemicalCompound:acdLogP	3.451
chemicalCompound:acdLogD	3.451
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	430.38
chemicalCompound:acdMostBpk...	2.693
chemicalCompound:chemblId	CHEMBL1992306
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1413597
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:9507470, activity:9507991, activity:9520013, activity:9520227, activity:9520487, activity:9520717, activity:9523753, activity:9524077, activity:9528988, activity:9532587, activity:9532829, activity:9532928, activity:9533274, activity:9535974, activity:9536228, activity:9536512, activity:9539868, activity:9545030, activity:9545377, activity:9548712, activity:9549319, activity:9552173, activity:9552516, activity:9552747, activity:9557276, activity:9557676, activity:9557815, activity:9561051, activity:9565326, activity:9565721, activity:9568790, activity:9570295, activity:9572163, activity:9573451, activity:9574809, activity:9575163, activity:9575525, activity:9576160, activity:9577641, activity:9578383, activity:9580113, activity:9581678, activity:9581774, activity:9583107, activity:9583191, activity:9584531, activity:9584903, activity:9586276, activity:9587234, activity:9587495, activity:9587732, activity:9589113, activity:9589265, activity:9589985, activity:9592297, activity:9593493, activity:9594456, activity:9594778, activity:9595222, activity:9596338, activity:9596988, activity:9597673, activity:9597754, activity:9598821, activity:9599599, activity:9600530