478158

Source:http://linkedlifedata.com/resource/chembl/compound/478158

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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/C27H25F3N4O3/c1-17(35)31-12-13-34-24-15-21(32-16-18-4-3-5-20(14-18)27(28,29)30)8-11-23(24)33-25(26(34)36)19-6-9-22(37-2)10-7-19/h3-11,14-15,32H,12-13,16H2,1-2H3,(H,31,35)
chemicalCompound:standardIn...	FTECHNJBVQKRNG-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccc(cc1)C2=Nc3ccc(NCc4cccc(c4)C(F)(F)F)cc3N(CCNC(=O)C)C2=O
chemicalCompound:molecularF...	C27H25F3N4O3
chemicalCompound:moleculeId	478158
chemicalCompound:mwFreebase	510.508
chemicalCompound:alogp	4.224
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	83.03
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.439
chemicalCompound:acdLogD	3.439
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	510.508
chemicalCompound:acdMostBpk...	2.119
chemicalCompound:chemblId	CHEMBL493961
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:578158
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:2276714, activity:2276768, activity:2913943, activity:2913961