|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C18H15ClN2O2S/c1-12-3-4-14(10-20-12)18-17(9-15(19)11-21-18)13-5-7-16(8-6-13)24(2,22)23/h3-11H,1-2H3
|
|
chemicalCompound:standardIn... |
MNJVRJDLRVPLFE-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Cc1ccc(cn1)c2ncc(Cl)cc2c3ccc(cc3)S(=O)(=O)C
|
|
chemicalCompound:molecularF... |
C18H15ClN2O2S
|
|
chemicalCompound:moleculeId |
6706
|
|
chemicalCompound:mwFreebase |
358.842
|
|
chemicalCompound:alogp |
3.467
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
68.3
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
2.455
|
|
chemicalCompound:acdLogD |
2.455
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
358.842
|
|
chemicalCompound:acdMostBpk... |
3.676
|
|
chemicalCompound:chemblId |
CHEMBL416146
|
|
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:prefName |
ETORICOXIB
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:200528,
activity:444067,
activity:444068,
activity:444069,
activity:444070,
activity:444071,
activity:444072,
activity:1095297,
activity:1095298,
activity:1095299,
activity:1095300,
activity:1095301,
activity:1095302,
activity:1210462,
activity:1210463,
activity:1210464,
activity:1454039,
activity:1454040,
activity:1454041,
activity:1454042,
activity:1474874,
activity:1512494,
activity:1512495,
activity:1512496,
activity:1512497,
activity:1512498,
activity:1726829,
activity:1726836,
activity:1726845,
activity:1726852,
activity:1726860,
activity:1726863,
activity:1726880,
activity:1726884,
activity:1726889,
activity:1726909,
activity:1726912,
activity:1739243,
activity:1739275,
activity:1739287,
activity:1739290,
activity:2089239,
activity:2718018,
activity:2718019,
activity:2718047,
activity:2718058,
activity:2718066,
activity:2718074,
activity:3601370,
activity:3625832,
activity:5080027,
activity:5080675,
activity:5081249,
activity:5083450,
activity:5083521,
activity:6074497,
activity:6572959,
activity:7182402,
activity:9333786
|
