423757

Source:http://linkedlifedata.com/resource/chembl/compound/423757

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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/C31H34F3N3O4/c1-2-41-26-17-23(16-25(18-26)37-13-7-12-29(37)39)30(40)36-27(15-21-8-4-3-5-9-21)28(38)20-35-19-22-10-6-11-24(14-22)31(32,33)34/h3-6,8-11,14,16-18,27-28,35,38H,2,7,12-13,15,19-20H2,1H3,(H,36,40)/t27-,28+/m0/s1
chemicalCompound:standardIn...	RNICSWUEDSWABW-WUFINQPMSA-N
chemicalCompound:canonicalS...	CCOc1cc(cc(c1)C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNCc3cccc(c3)C(F)(F)F)N4CCCC4=O
chemicalCompound:molecularF...	C31 H34 F3 N3 O4
chemicalCompound:moleculeId	423757
chemicalCompound:mwFreebase	569.615
chemicalCompound:alogp	4.503
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	90.9
chemicalCompound:rtb	13
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.847
chemicalCompound:acdLogP	3.353
chemicalCompound:acdLogD	2.481
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	569.615
chemicalCompound:acdMostBpk...	8.235
chemicalCompound:chemblId	CHEMBL398418
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:523757
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:2077007, activity:2077008, activity:2077014