General Information of the Compound
| Compound ID |
CP0505060
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL1829606
Show/Hide
|
||||||||||||||||||
| Formula |
C26H28F3N3O4
|
||||||||||||||||||
| Molecular Weight |
503.521
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1cccc(c1)C(=O)NCC(=O)NC1CN(C1)[C@H]1CC[C@@H](CC1)c1ccc2OCOc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H28F3N3O4/c27-26(28,29)19-3-1-2-18(10-19)25(34)30-12-24(33)31-20-13-32(14-20)21-7-4-16(5-8-21)17-6-9-22-23(11-17)36-15-35-22/h1-3,6,9-11,16,20-21H,4-5,7-8,12-15H2,(H,30,34)(H,31,33)/t16-,21-
Show/Hide
|
||||||||||||||||||
| InChIKey |
QTNRUICBYFHOBZ-OQIWPSSASA-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 | |||||||||||||||||||
| 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