|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C21H19N3O3S/c1-27-20-13-14(24-28(2,25)26)11-12-19(20)23-21-15-7-3-5-9-17(15)22-18-10-6-4-8-16(18)21/h3-13,24H,1-2H3,(H,22,23)
|
|
chemicalCompound:standardIn... |
XCPGHVQEEXUHNC-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
COc1cc(NS(=O)(=O)C)ccc1Nc2c3ccccc3nc4ccccc24
|
|
chemicalCompound:molecularF... |
C21H19N3O3S
|
|
chemicalCompound:moleculeId |
2580
|
|
chemicalCompound:mwFreebase |
393.459
|
|
chemicalCompound:alogp |
3.797
|
|
chemicalCompound:hba |
5
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
88.7
|
|
chemicalCompound:rtb |
5
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
8.554
|
|
chemicalCompound:acdLogP |
3.323
|
|
chemicalCompound:acdLogD |
3.218
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
393.459
|
|
chemicalCompound:acdMostBpk... |
7.886
|
|
chemicalCompound:chemblId |
CHEMBL43
|
|
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 |
AMSACRINE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:51478,
activity:51479,
activity:51480,
activity:51481,
activity:51482,
activity:51483,
activity:158418,
activity:161915,
activity:161916,
activity:161917,
activity:161918,
activity:161919,
activity:216008,
activity:216009,
activity:216010,
activity:216011,
activity:216012,
activity:228045,
activity:228046,
activity:228047,
activity:228048,
activity:228049,
activity:268915,
activity:268916,
activity:268917,
activity:268918,
activity:268919,
activity:268920,
activity:268921,
activity:290585,
activity:347146,
activity:347147,
activity:347148,
activity:347149,
activity:350721,
activity:350722,
activity:350723,
activity:350724,
activity:350725,
activity:494998,
activity:494999,
activity:495000,
activity:495001,
activity:503553,
activity:503554,
activity:503555,
activity:503556,
activity:503557,
activity:503558,
activity:503559,
activity:503560,
activity:509824,
activity:509825,
activity:509826,
activity:509827,
activity:513868,
activity:513869,
activity:513870,
activity:513871,
activity:513872,
activity:513873
|
