|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C20H14N2O4S2/c23-14-9-7-13(8-10-14)21-18-12-17(15-4-1-2-5-16(15)20(18)24)22-28(25,26)19-6-3-11-27-19/h1-12,21,23H/b22-17-
|
|
chemicalCompound:standardIn... |
YXKCWSSSTBYFQS-XLNRJJMWSA-N
|
|
chemicalCompound:canonicalS... |
Oc1ccc(NC2=C\C(=N\S(=O)(=O)c3cccs3)\c4ccccc4C2=O)cc1
|
|
chemicalCompound:molecularF... |
C20H14N2O4S2
|
|
chemicalCompound:moleculeId |
1321808
|
|
chemicalCompound:mwFreebase |
410.466
|
|
chemicalCompound:alogp |
3.157
|
|
chemicalCompound:hba |
6
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
132.44
|
|
chemicalCompound:rtb |
4
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdMostApk... |
10.569
|
|
chemicalCompound:acdLogP |
1.678
|
|
chemicalCompound:acdLogD |
1.677
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
410.466
|
|
chemicalCompound:chemblId |
CHEMBL2000517
|
|
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:3607961,
activity:3625612,
activity:3631079,
activity:3658476,
activity:3699986,
activity:3760621,
activity:3766901,
activity:3780856,
activity:3820987,
activity:3860468,
activity:3863256,
activity:3907909,
activity:3934866,
activity:3942513,
activity:3948810,
activity:4008555,
activity:4035148,
activity:4074505,
activity:4106532,
activity:4144807,
activity:4282659,
activity:4329808,
activity:4398787,
activity:4413787,
activity:4414060,
activity:4461396,
activity:4511741,
activity:4564121,
activity:4607910,
activity:4624670,
activity:4695968,
activity:4713801,
activity:4717404,
activity:4732325,
activity:4749449,
activity:4806303,
activity:4820003,
activity:4892617,
activity:4917979,
activity:4929587,
activity:4951697,
activity:4961928,
activity:4998463,
activity:5004820,
activity:5331668,
activity:5379849,
activity:5410550,
activity:5410736,
activity:5488950,
activity:5498019,
activity:5517193,
activity:5574095,
activity:5638324,
activity:5646821,
activity:5680650,
activity:5690202,
activity:5772749,
activity:5779725,
activity:5804137,
activity:5842530,
activity:5882631,
activity:5950953,
activity:5984070,
activity:6504151,
activity:6596039,
activity:6655488,
activity:6747380
|
