General Information of the Compound
| Compound ID |
CP0574448
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10273259, Example 863
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H25F8N3O4S
|
||||||||||||||||||
| Molecular Weight |
663.587
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(cc1)S(=O)(=O)[C@@]12CCN([C@@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)C(=O)[C@@H]1CCC(=O)N1CCC#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H25F8N3O4S/c30-19-4-6-20(7-5-19)45(43,44)26-12-15-40(25(42)22-9-11-24(41)39(22)14-1-13-38)23(26)10-2-17-16-18(3-8-21(17)26)27(31,28(32,33)34)29(35,36)37/h3-8,16,22-23H,1-2,9-12,14-15H2/t22-,23+,26+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XDDWLXGEQFTMIY-PPJWLVRDSA-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