|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C16H14F3NO3S/c1-20(8-13(21)22)15(24)11-5-3-4-10-9(11)6-7-12(23-2)14(10)16(17,18)19/h3-7H,8H2,1-2H3,(H,21,22)
|
|
chemicalCompound:standardIn... |
LUBHDINQXIHVLS-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
COc1ccc2c(cccc2c1C(F)(F)F)C(=S)N(C)CC(=O)O
|
|
chemicalCompound:molecularF... |
C16H14F3NO3S
|
|
chemicalCompound:moleculeId |
2084
|
|
chemicalCompound:mwFreebase |
357.347
|
|
chemicalCompound:alogp |
3.983
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
81.86
|
|
chemicalCompound:rtb |
6
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdMostApk... |
3.486
|
|
chemicalCompound:acdLogP |
3.588
|
|
chemicalCompound:acdLogD |
-0.068
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
357.347
|
|
chemicalCompound:acdMostBpk... |
0.628
|
|
chemicalCompound:chemblId |
CHEMBL436
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
|
chemicalCompound:dosedIngre... |
Yes
|
|
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 |
TOLRESTAT
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:firstAppro... |
1989
|
|
chemicalCompound:activity |
activity:92689,
activity:92690,
activity:92691,
activity:92692,
activity:92693,
activity:92694,
activity:92695,
activity:92696,
activity:92697,
activity:92698,
activity:92699,
activity:92700,
activity:92701,
activity:92702,
activity:92703,
activity:92704,
activity:92705,
activity:92706,
activity:92707,
activity:92708,
activity:92709,
activity:92710,
activity:92711,
activity:92712,
activity:92713,
activity:92714,
activity:92715,
activity:166000,
activity:166001,
activity:166002,
activity:166003,
activity:166004,
activity:230522,
activity:230523,
activity:230524,
activity:284035,
activity:284036,
activity:284037,
activity:284038,
activity:286384,
activity:286385,
activity:286386,
activity:286387,
activity:286388,
activity:286389,
activity:286390,
activity:286391,
activity:286392,
activity:286393,
activity:286394,
activity:286395,
activity:286396,
activity:286397,
activity:286398,
activity:286399,
activity:286400
|
