423759

Source:http://linkedlifedata.com/resource/chembl/compound/423759

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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/C35H35F3N2O4/c1-3-44-29-19-26(31-15-8-7-14-30(31)23(2)41)18-27(20-29)34(43)40-32(17-24-10-5-4-6-11-24)33(42)22-39-21-25-12-9-13-28(16-25)35(36,37)38/h4-16,18-20,32-33,39,42H,3,17,21-22H2,1-2H3,(H,40,43)/t32-,33+/m0/s1
chemicalCompound:standardIn...	YJKAWDNPEIHQRW-JHOUSYSJSA-N
chemicalCompound:canonicalS...	CCOc1cc(cc(c1)c2ccccc2C(=O)C)C(=O)N[C@@H](Cc3ccccc3)[C@H](O)CNCc4cccc(c4)C(F)(F)F
chemicalCompound:molecularF...	C35 H35 F3 N2 O4
chemicalCompound:moleculeId	423759
chemicalCompound:mwFreebase	604.659
chemicalCompound:alogp	6.18
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	87.66
chemicalCompound:rtb	14
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.059
chemicalCompound:acdLogP	5.157
chemicalCompound:acdLogD	4.498
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	604.659
chemicalCompound:acdMostBpk...	7.781
chemicalCompound:chemblId	CHEMBL401067
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:523759
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:2077035, activity:2077057, activity:2077079