|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C21H16FN3OS/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25)
|
|
chemicalCompound:standardIn... |
CDMGBJANTYXAIV-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
C[S+]([O-])c1ccc(cc1)c2nc(c3ccc(F)cc3)c([nH]2)c4ccncc4
|
|
chemicalCompound:molecularF... |
C21H16FN3OS
|
|
chemicalCompound:moleculeId |
250
|
|
chemicalCompound:mwFreebase |
377.435
|
|
chemicalCompound:alogp |
4.201
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
77.85
|
|
chemicalCompound:rtb |
4
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
377.435
|
|
chemicalCompound:acdMostBpk... |
9.094
|
|
chemicalCompound:chemblId |
CHEMBL10
|
|
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 |
SB-203580
|
|
chemicalCompound:activity |
activity:45890,
activity:45891,
activity:45892,
activity:45893,
activity:45894,
activity:62161,
activity:105938,
activity:149008,
activity:149009,
activity:267596,
activity:335129,
activity:335130,
activity:335131,
activity:335132,
activity:335133,
activity:335134,
activity:335135,
activity:335136,
activity:335137,
activity:335138,
activity:393576,
activity:452397,
activity:468911,
activity:468912,
activity:468913,
activity:468914,
activity:468915,
activity:468916,
activity:468917,
activity:468918,
activity:468919,
activity:468920,
activity:635724,
activity:635725,
activity:635726,
activity:635727,
activity:635728,
activity:635729,
activity:635730,
activity:635731,
activity:635732,
activity:635733,
activity:706785,
activity:706786,
activity:706787,
activity:706788,
activity:706789,
activity:706790,
activity:706791,
activity:706792,
activity:706793,
activity:706794,
activity:709368,
activity:709369,
activity:766009,
activity:766010,
activity:766011,
activity:766012,
activity:766013,
activity:767769,
activity:767770,
activity:767771,
activity:767772,
activity:767773,
activity:767774,
activity:767775,
activity:767776
|
