|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C14H9F3O3/c15-14(16,17)7-4-5-8-11(6-7)20-10-3-1-2-9(18)12(10)13(8)19/h4-6H,1-3H2
|
|
chemicalCompound:standardIn... |
YCBJUIHLMYFQSQ-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
FC(F)(F)c1ccc2C(=O)C3=C(CCCC3=O)Oc2c1
|
|
chemicalCompound:molecularF... |
C14H9F3O3
|
|
chemicalCompound:moleculeId |
1327784
|
|
chemicalCompound:mwFreebase |
282.215
|
|
chemicalCompound:alogp |
2.897
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
43.37
|
|
chemicalCompound:rtb |
1
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
2.423
|
|
chemicalCompound:acdLogD |
2.423
|
|
chemicalCompound:fullMwt |
282.215
|
|
chemicalCompound:chemblId |
CHEMBL2006493
|
|
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:9507452,
activity:9519381,
activity:9519465,
activity:9519981,
activity:9520196,
activity:9520463,
activity:9520692,
activity:9523725,
activity:9528960,
activity:9532561,
activity:9532792,
activity:9532904,
activity:9533260,
activity:9535955,
activity:9536212,
activity:9536485,
activity:9539851,
activity:9544776,
activity:9545015,
activity:9545351,
activity:9549305,
activity:9552140,
activity:9552496,
activity:9552717,
activity:9557258,
activity:9557649,
activity:9557791,
activity:9561022,
activity:9565295,
activity:9565694,
activity:9568762,
activity:9570277,
activity:9572135,
activity:9573426,
activity:9574769,
activity:9575134,
activity:9575495,
activity:9576142,
activity:9576504,
activity:9576743,
activity:9577615,
activity:9578166,
activity:9578352,
activity:9579591,
activity:9581650,
activity:9582686,
activity:9583086,
activity:9583638,
activity:9584129,
activity:9584505,
activity:9584877,
activity:9586633,
activity:9587477,
activity:9589087,
activity:9589227,
activity:9589972,
activity:9592277,
activity:9593389,
activity:9593475,
activity:9594418,
activity:9594745,
activity:9595199,
activity:9595545,
activity:9596317,
activity:9597646,
activity:9597714,
activity:9598801,
activity:9600513,
activity:9601237
|
