282991

Source:http://linkedlifedata.com/resource/chembl/compound/282991

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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:282991_BMS-201038_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C39H37F6N3O2/c40-38(41,42)25-46-36(50)37(33-13-5-3-10-30(33)31-11-4-6-14-34(31)37)21-7-8-22-48-23-19-28(20-24-48)47-35(49)32-12-2-1-9-29(32)26-15-17-27(18-16-26)39(43,44)45/h1-6,9-18,28H,7-8,19-25H2,(H,46,50)(H,47,49)
chemicalCompound:standardIn...	MBBCVAKAJPKAKM-UHFFFAOYSA-N
chemicalCompound:canonicalS...	FC(F)(F)CNC(=O)C1(CCCCN2CCC(CC2)NC(=O)c3ccccc3c4ccc(cc4)C(F)(F)F)c5ccccc5c6ccccc16
chemicalCompound:molecularF...	C39 H37 F6 N3 O2
chemicalCompound:moleculeId	282991
chemicalCompound:mwFreebase	693.72
chemicalCompound:alogp	7.79
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	61.44
chemicalCompound:rtb	12
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.66
chemicalCompound:acdLogP	6.338
chemicalCompound:acdLogD	4.769
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	693.72
chemicalCompound:acdMostBpk...	8.7
chemicalCompound:chemblId	CHEMBL354541
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:382991
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:1223938, activity:1223939, activity:1223940, activity:1223941, activity:1223942, activity:1223943, activity:1223944, activity:1223945, activity:1454278, activity:1454279, activity:1454280, activity:1454281