569815

Source:http://linkedlifedata.com/resource/chembl/compound/569815

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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:569815_CVT-12012_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C21H21F3N4O3/c1-13-20(31)28(8-7-25-19(30)12-29)18-10-16(5-6-17(18)27-13)26-11-14-3-2-4-15(9-14)21(22,23)24/h2-6,9-10,26,29H,7-8,11-12H2,1H3,(H,25,30)
chemicalCompound:standardIn...	HRAQDVZJYIAWOV-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC1=Nc2ccc(NCc3cccc(c3)C(F)(F)F)cc2N(CCNC(=O)CO)C1=O
chemicalCompound:molecularF...	C21H21F3N4O3
chemicalCompound:moleculeId	569815
chemicalCompound:mwFreebase	434.412
chemicalCompound:alogp	1.894
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	94.03
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.29
chemicalCompound:acdLogP	1.806
chemicalCompound:acdLogD	1.806
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	434.412
chemicalCompound:acdMostBpk...	2.302
chemicalCompound:chemblId	CHEMBL573829
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:669815
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:2913879, activity:2913889, activity:2913900, activity:2913901, activity:2913905, activity:2913909, activity:2913912, activity:2913914, activity:2913947, activity:2913964, activity:2913969, activity:2913970, activity:2913971, activity:2913972, activity:2913973, activity:2913974, activity:2913975, activity:2913976, activity:2913977, activity:2913978, activity:2913979, activity:2913980