|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3
|
|
chemicalCompound:standardIn... |
RTHCYVBBDHJXIQ-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CNCCC(Oc1ccc(cc1)C(F)(F)F)c2ccccc2
|
|
chemicalCompound:molecularF... |
C17H18F3NO
|
|
chemicalCompound:moleculeId |
2223
|
|
chemicalCompound:mwFreebase |
309.326
|
|
chemicalCompound:alogp |
4.033
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
21.26
|
|
chemicalCompound:rtb |
7
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
3.93
|
|
chemicalCompound:acdLogD |
1.409
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
309.326
|
|
chemicalCompound:acdMostBpk... |
10.053
|
|
chemicalCompound:chemblId |
CHEMBL41
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
|
chemicalCompound:dosedIngre... |
No
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
Yes
|
|
chemicalCompound:parenteral |
No
|
|
chemicalCompound:topical |
No
|
|
chemicalCompound:blackBoxWa... |
No
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
FLUOXETINE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:firstAppro... |
1987
|
|
chemicalCompound:activity |
activity:35852,
activity:35853,
activity:35854,
activity:35855,
activity:35856,
activity:35857,
activity:35858,
activity:35859,
activity:35860,
activity:35861,
activity:35862,
activity:35863,
activity:35864,
activity:35865,
activity:35866,
activity:35867,
activity:43184,
activity:43185,
activity:43186,
activity:43187,
activity:43188,
activity:43189,
activity:43190,
activity:64727,
activity:137704,
activity:137705,
activity:146151,
activity:146152,
activity:146153,
activity:146154,
activity:146155,
activity:146156,
activity:146157,
activity:192902,
activity:192903,
activity:192904,
activity:192905,
activity:192906,
activity:192907,
activity:192908,
activity:192909,
activity:202971,
activity:202972,
activity:202973,
activity:202974,
activity:202975,
activity:238639,
activity:238640,
activity:238641,
activity:238642,
activity:238643,
activity:238644,
activity:242827,
activity:242828,
activity:242829
|
