|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C19H27FN2O4/c1-2-3-6-22-7-4-13(5-8-22)12-26-19(23)14-11-15(20)16(21)18-17(14)24-9-10-25-18/h11,13H,2-10,12,21H2,1H3
|
|
chemicalCompound:standardIn... |
WLHFUBIRAHRPHA-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CCCCN1CCC(COC(=O)c2cc(F)c(N)c3OCCOc23)CC1
|
|
chemicalCompound:molecularF... |
C19H27FN2O4
|
|
chemicalCompound:moleculeId |
707683
|
|
chemicalCompound:mwFreebase |
366.427
|
|
chemicalCompound:alogp |
2.947
|
|
chemicalCompound:hba |
6
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
74.02
|
|
chemicalCompound:rtb |
7
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
2.834
|
|
chemicalCompound:acdLogD |
1.117
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
366.427
|
|
chemicalCompound:acdMostBpk... |
9.12
|
|
chemicalCompound:chemblId |
CHEMBL1258671
|
|
chemicalCompound:maxPhase |
0
|
|
chemicalCompound:therapeuti... |
0
|
|
chemicalCompound:dosedIngre... |
No
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
No
|
|
chemicalCompound:parenteral |
No
|
|
chemicalCompound:topical |
No
|
|
chemicalCompound:blackBoxWa... |
No
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:activity |
activity:3502681,
activity:3502682,
activity:3502701,
activity:3502719,
activity:3502730,
activity:3502744,
activity:3502836,
activity:3502837,
activity:3502838,
activity:3502839,
activity:3502840,
activity:3502841,
activity:3502842,
activity:3502843,
activity:3502844,
activity:3502845,
activity:3502846,
activity:3502847,
activity:3502848,
activity:3502849,
activity:3502850,
activity:3502851,
activity:3502852,
activity:3502853,
activity:3502854,
activity:3502855,
activity:3502856,
activity:3502857,
activity:3502858,
activity:3502859,
activity:3502860,
activity:3502861,
activity:3502862,
activity:3502863,
activity:3502864,
activity:3502865,
activity:3502866,
activity:3502867,
activity:3502868,
activity:3502869,
activity:3502870,
activity:3502871,
activity:3502872,
activity:3502873,
activity:3502874,
activity:3502875,
activity:3502876,
activity:3502877,
activity:3502878,
activity:3502879,
activity:3502891,
activity:3502892,
activity:3502893,
activity:3502894,
activity:3502895,
activity:3502896,
activity:3502897,
activity:3502898,
activity:3502899,
activity:3502900
|
