|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C19H24N8O6S2/c1-34(30,31)10-12-16(28)26-14(22-24-18(26)20-12)8-6-4-3-5-7-9-15-23-25-19-21-13(11-35(2,32)33)17(29)27(15)19/h3-11H2,1-2H3
|
|
chemicalCompound:standardIn... |
ILLSAKAQRZKXAU-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CS(=O)(=O)CC1=Nc2nnc(CCCCCCCc3nnc4N=C(CS(=O)(=O)C)C(=O)n34)n2C1=O
|
|
chemicalCompound:molecularF... |
C19H24N8O6S2
|
|
chemicalCompound:moleculeId |
1292225
|
|
chemicalCompound:mwFreebase |
524.574
|
|
chemicalCompound:alogp |
1
|
|
chemicalCompound:hba |
12
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
205.31
|
|
chemicalCompound:rtb |
12
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
2
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdLogP |
0.824
|
|
chemicalCompound:acdLogD |
0.824
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
524.574
|
|
chemicalCompound:acdMostBpk... |
0.495
|
|
chemicalCompound:chemblId |
CHEMBL1970934
|
|
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:8245868,
activity:8310284,
activity:8366922,
activity:8400628,
activity:8473587,
activity:8493649,
activity:8578754,
activity:8583646,
activity:8639227,
activity:8656102,
activity:8723795,
activity:8764014,
activity:8771093,
activity:8796127,
activity:8895012,
activity:8924470,
activity:8962935,
activity:9067718,
activity:9093198,
activity:9139621,
activity:9179860,
activity:9222250,
activity:9288024,
activity:9289931,
activity:9305828,
activity:9356486,
activity:9426119,
activity:9428747,
activity:9437931,
activity:9694090,
activity:9712462,
activity:9758997,
activity:9783829,
activity:9859150,
activity:9888164,
activity:9926193,
activity:9959564,
activity:10076878,
activity:10079672,
activity:10087323,
activity:10164004,
activity:10195594,
activity:10250364,
activity:10368981,
activity:10392601,
activity:10427001,
activity:10438745,
activity:10490201,
activity:10587408,
activity:10609149,
activity:10671943,
activity:10696343,
activity:10778066,
activity:10793543,
activity:10814061
|
