161707

Source:http://linkedlifedata.com/resource/chembl/compound/161707

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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/C25H29F2NO3/c1-15(2)30-25(29)23-21-13-12-20(28(21)3)14-22(23)31-24(16-4-8-18(26)9-5-16)17-6-10-19(27)11-7-17/h4-11,15,20-24H,12-14H2,1-3H3/t20?,21?,22-,23+/m0/s1
chemicalCompound:standardIn...	VQGZQBKAHKWBNQ-ZSTXGWIISA-N
chemicalCompound:canonicalS...	CC(C)OC(=O)[C@H]1[C@H](CC2CCC1N2C)OC(c3ccc(F)cc3)c4ccc(F)cc4
chemicalCompound:molecularF...	C25 H29 F2 N O3
chemicalCompound:moleculeId	161707
chemicalCompound:mwFreebase	429.499
chemicalCompound:alogp	4.816
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	38.77
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.406
chemicalCompound:acdLogD	2.455
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	429.499
chemicalCompound:acdMostBpk...	9.378
chemicalCompound:chemblId	CHEMBL99038
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:261707
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:442673, activity:442674, activity:461071, activity:461072, activity:461073