|
rdf:type |
|
|
chemicalCompound:synonym |
synonym:2484_Entusil_TRADE_NAME,
synonym:2484_Eryzole_OTHER,
synonym:2484_Gantrisin_TRADE_NAME,
synonym:2484_Neazolin_TRADE_NAME,
synonym:2484_Pediazole_OTHER,
synonym:2484_Sosol_TRADE_NAME,
synonym:2484_Soxazole_TRADE_NAME,
synonym:2484_Sulfafurazole_BAN,
synonym:2484_Sulfafurazole_INN,
synonym:2484_Sulfafurazole_TRADE_NAME,
synonym:2484_Sulfalar_TRADE_NAME,
synonym:2484_Sulfisoxazole_FDA_ALTERNATIVE_NAME,
synonym:2484_Sulfisoxazole_JAN,
synonym:2484_Sulfisoxazole_TRADE_NAME,
synonym:2484_Sulfisoxazole_USAN,
synonym:2484_Sulfisoxazole_USP,
synonym:2484_Sulphafurazole_OTHER,
synonym:2484_Sulphafurazole_TRADE_NAME,
synonym:2484_Sulsoxin_TRADE_NAME
|
|
chemicalCompound:standardIn... |
InChI=1S/C11H13N3O3S/c1-7-8(2)13-17-11(7)14-18(15,16)10-5-3-9(12)4-6-10/h3-6,14H,12H2,1-2H3
|
|
chemicalCompound:standardIn... |
NHUHCSRWZMLRLA-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C
|
|
chemicalCompound:molecularF... |
C11H13N3O3S
|
|
chemicalCompound:moleculeId |
2484
|
|
chemicalCompound:mwFreebase |
267.304
|
|
chemicalCompound:alogp |
0.918
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
106.6
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
4.829
|
|
chemicalCompound:acdLogP |
1.01
|
|
chemicalCompound:acdLogD |
-0.55
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
267.304
|
|
chemicalCompound:acdMostBpk... |
1.516
|
|
chemicalCompound:chemblId |
CHEMBL453
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
|
chemicalCompound:dosedIngre... |
Yes
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
Yes
|
|
chemicalCompound:parenteral |
Yes
|
|
chemicalCompound:topical |
Yes
|
|
chemicalCompound:blackBoxWa... |
No
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
SULFISOXAZOLE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:173040,
activity:173041,
activity:261304,
activity:261305,
activity:469073,
activity:481516,
activity:481517,
activity:481518,
activity:496660,
activity:868502,
activity:868503,
activity:868504,
activity:868505,
activity:982216,
activity:982217,
activity:982218,
activity:982219,
activity:982220,
activity:1115501,
activity:1115502,
activity:2385323,
activity:2591848,
activity:2591935,
activity:2672663,
activity:2672664,
activity:2716878,
activity:2990576,
activity:2990633,
activity:2990731,
activity:2991813,
activity:2991935,
activity:2996179,
activity:2996234,
activity:2996351,
activity:2996502,
activity:3619873,
activity:3635922,
activity:3914295,
activity:3923584,
activity:3935457,
activity:4020194,
activity:4618726,
activity:4691163,
activity:4699345,
activity:5053582
|
