|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C14H13NO4S/c1-10-11(2)14(16)9-8-13(10)15-19-20(17,18)12-6-4-3-5-7-12/h3-9H,1-2H3
|
|
chemicalCompound:standardIn... |
HBNYMWXXUGEESV-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CC1=C(C)C(=NOS(=O)(=O)c2ccccc2)C=CC1=O
|
|
chemicalCompound:molecularF... |
C14H13NO4S
|
|
chemicalCompound:moleculeId |
1025909
|
|
chemicalCompound:mwFreebase |
291.322
|
|
chemicalCompound:alogp |
2.992
|
|
chemicalCompound:hba |
5
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
81.17
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdLogP |
1.857
|
|
chemicalCompound:acdLogD |
1.857
|
|
chemicalCompound:fullMwt |
291.322
|
|
chemicalCompound:chemblId |
CHEMBL1602025
|
|
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:3657719,
activity:3663716,
activity:3735964,
activity:3754321,
activity:3838910,
activity:3849545,
activity:3953596,
activity:3961730,
activity:4068415,
activity:4083444,
activity:4111154,
activity:4192131,
activity:4274937,
activity:4302525,
activity:4313350,
activity:4378776,
activity:4409500,
activity:4439109,
activity:4499390,
activity:4518030,
activity:4532410,
activity:4598879,
activity:4709792,
activity:4775487,
activity:4779393,
activity:4851693,
activity:4852893,
activity:4912134,
activity:4913358,
activity:4947415,
activity:5014068,
activity:5053250,
activity:5361875,
activity:5403931,
activity:5413704,
activity:5444914,
activity:5514456,
activity:5527725,
activity:5531714,
activity:5579097,
activity:5711438,
activity:5777571,
activity:5802083,
activity:5820344,
activity:5852981,
activity:5855168,
activity:5897201,
activity:5960358,
activity:6433296,
activity:6498841,
activity:6551483,
activity:6633635,
activity:6769195,
activity:6790685,
activity:6843776,
activity:6990798,
activity:7065175,
activity:7289263,
activity:7336234,
activity:7388099,
activity:7447045,
activity:7451541,
activity:7461196
|
