General Information of the Compound
| Compound ID |
CP0126518
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10865208, Compound I-99
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C11H13F3N6O6S
|
||||||||||||||||||
| Molecular Weight |
414.322
|
||||||||||||||||||
| Canonical SMILES |
Nc1ncnc2n(nc(OC(F)F)c12)[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H]1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C11H13F3N6O6S/c12-5-6(21)3(1-24-27(16,22)23)25-10(5)20-8-4(7(15)17-2-18-8)9(19-20)26-11(13)14/h2-3,5-6,10-11,21H,1H2,(H2,15,17,18)(H2,16,22,23)/t3-,5+,6-,10-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MMXDILQQJLNYAP-PLWWYIFASA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound