189899

Source:http://linkedlifedata.com/resource/chembl/compound/189899

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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/C29H28F3NO3/c30-29(31,32)23-13-15-25(16-14-23)36-27(22-8-2-1-3-9-22)17-18-33-19-24(34)20-35-28-12-6-10-21-7-4-5-11-26(21)28/h1-16,24,27,33-34H,17-20H2/t24-,27-/m0/s1
chemicalCompound:standardIn...	HMJGAZFZEHOLTD-IGKIAQTJSA-N
chemicalCompound:canonicalS...	O[C@@H](CNCC[C@H](Oc1ccc(cc1)C(F)(F)F)c2ccccc2)COc3cccc4ccccc34
chemicalCompound:molecularF...	C29 H28 F3 N O3
chemicalCompound:moleculeId	189899
chemicalCompound:mwFreebase	495.533
chemicalCompound:alogp	6.063
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	50.72
chemicalCompound:rtb	12
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.827
chemicalCompound:acdLogP	6.454
chemicalCompound:acdLogD	4.929
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	495.533
chemicalCompound:acdMostBpk...	9.019
chemicalCompound:chemblId	CHEMBL116626
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:289899
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:455414, activity:455415