|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C9H7N7O2S/c1-15-4-14-7(16(17)18)9(15)19-8-5-6(11-2-10-5)12-3-13-8/h2-4H,1H3,(H,10,11,12,13)
|
|
chemicalCompound:standardIn... |
LMEKQMALGUDUQG-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Cn1cnc(c1Sc2ncnc3nc[nH]c23)[N+](=O)[O-]
|
|
chemicalCompound:molecularF... |
C9H7N7O2S
|
|
chemicalCompound:moleculeId |
431141
|
|
chemicalCompound:mwFreebase |
277.263
|
|
chemicalCompound:alogp |
1.071
|
|
chemicalCompound:hba |
7
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
143.4
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdMostApk... |
8.289
|
|
chemicalCompound:acdLogP |
0.02
|
|
chemicalCompound:acdLogD |
-0.032
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
277.263
|
|
chemicalCompound:acdMostBpk... |
1.385
|
|
chemicalCompound:chemblId |
CHEMBL1542
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
|
chemicalCompound:dosedIngre... |
Yes
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
Yes
|
|
chemicalCompound:parenteral |
Yes
|
|
chemicalCompound:topical |
No
|
|
chemicalCompound:blackBoxWa... |
Yes
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
AZATHIOPRINE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:231481,
activity:231482,
activity:231483,
activity:231484,
activity:231485,
activity:677633,
activity:677634,
activity:677635,
activity:749500,
activity:749501,
activity:749502,
activity:755488,
activity:755489,
activity:1995307,
activity:2085136,
activity:2143192,
activity:2143193,
activity:2201469,
activity:2201474,
activity:2297217,
activity:2297218,
activity:2297219,
activity:2297220,
activity:2297221,
activity:2297222,
activity:2297223,
activity:2325737,
activity:2325738,
activity:2364228,
activity:2403553,
activity:2588796,
activity:2588842,
activity:2667591,
activity:2667595,
activity:2667599,
activity:2667603,
activity:2667607,
activity:2667611,
activity:2667615,
activity:2667619,
activity:2667623,
activity:2667627,
activity:2667631,
activity:2667635,
activity:2667639,
activity:2667643,
activity:2667647,
activity:2667663,
activity:2667664,
activity:2667665,
activity:2667666,
activity:2667667,
activity:2667668,
activity:2667669,
activity:2667670,
activity:2667671,
activity:2667672,
activity:2667673,
activity:2667674
|
