|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C14H8F3N3O4S2/c15-14(16,17)26(23,24)8-5-6-12(11(7-8)20(21)22)25-13-18-9-3-1-2-4-10(9)19-13/h1-7H,(H,18,19)
|
|
chemicalCompound:standardIn... |
CNXPXYYJQNDCLC-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
[O-][N+](=O)c1cc(ccc1Sc2nc3ccccc3[nH]2)S(=O)(=O)C(F)(F)F
|
|
chemicalCompound:molecularF... |
C14H8F3N3O4S2
|
|
chemicalCompound:moleculeId |
814023
|
|
chemicalCompound:mwFreebase |
403.356
|
|
chemicalCompound:alogp |
5.562
|
|
chemicalCompound:hba |
6
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
142.32
|
|
chemicalCompound:rtb |
5
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
1
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdMostApk... |
10.144
|
|
chemicalCompound:acdLogP |
4.21
|
|
chemicalCompound:acdLogD |
4.209
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
403.356
|
|
chemicalCompound:acdMostBpk... |
3.578
|
|
chemicalCompound:chemblId |
CHEMBL1390139
|
|
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:3621236,
activity:3663679,
activity:3754303,
activity:3770995,
activity:3799262,
activity:3838867,
activity:3933087,
activity:3942569,
activity:3957524,
activity:3961704,
activity:4008247,
activity:4068359,
activity:4111115,
activity:4274833,
activity:4313314,
activity:4368638,
activity:4499336,
activity:4572810,
activity:4713857,
activity:4897695,
activity:4912091,
activity:4913342,
activity:4947360,
activity:4958070,
activity:5375249,
activity:5399164,
activity:5514451,
activity:5532232,
activity:5578071,
activity:5710326,
activity:5801314,
activity:5819384,
activity:5896093,
activity:6430273,
activity:6551447,
activity:6697613,
activity:6769191,
activity:6787080,
activity:6947160,
activity:6987156,
activity:6989512,
activity:7122412,
activity:7289140,
activity:7332677,
activity:7388095,
activity:7451353,
activity:8995675,
activity:9693795
|
