|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C17H19N3O3S/c1-11-12(2)18-23-17(11)19-24(21,22)16-10-6-7-13-14(16)8-5-9-15(13)20(3)4/h5-10,19H,1-4H3
|
|
chemicalCompound:standardIn... |
MJRGSRRZKSJHOE-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc3onc(C)c3C
|
|
chemicalCompound:molecularF... |
C17 H19 N3 O3 S
|
|
chemicalCompound:moleculeId |
490
|
|
chemicalCompound:mwFreebase |
345.416
|
|
chemicalCompound:alogp |
2.735
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
83.82
|
|
chemicalCompound:rtb |
4
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
7.635
|
|
chemicalCompound:acdLogP |
2.829
|
|
chemicalCompound:acdLogD |
2.636
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
345.416
|
|
chemicalCompound:acdMostBpk... |
3.461
|
|
chemicalCompound:chemblId |
CHEMBL267458
|
|
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 |
BMS-182874
|
|
chemicalCompound:activity |
activity:125850,
activity:125851,
activity:125852,
activity:125853,
activity:125854,
activity:242343,
activity:242344,
activity:461506,
activity:461507,
activity:461508,
activity:461509,
activity:461510,
activity:461511,
activity:461512,
activity:461513,
activity:467584,
activity:492632,
activity:492633,
activity:492634,
activity:492635,
activity:493294,
activity:493295,
activity:493377,
activity:493378,
activity:495571,
activity:806752,
activity:806753,
activity:806754,
activity:1117874,
activity:1117875,
activity:1117876,
activity:1117877,
activity:1117878,
activity:1117879,
activity:1131135,
activity:3620244,
activity:3690466,
activity:3720946,
activity:3917244,
activity:4372651,
activity:4667245,
activity:4755194,
activity:4788655,
activity:4973627,
activity:5017061,
activity:5029351,
activity:5038888,
activity:5518385,
activity:6031083,
activity:6039054,
activity:6062664,
activity:6066134,
activity:6071728,
activity:6436855,
activity:7563960
|
