General Information of the Compound
| Compound ID |
CP0400606
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8969325, 126
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H18F3N3O4
|
||||||||||||||||||
| Molecular Weight |
421.375
|
||||||||||||||||||
| Canonical SMILES |
C[C@@]1(C[C@@H](NC(=O)Nc2ccc3OCC(=O)Nc3c2)c2ccccc2O1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H18F3N3O4/c1-19(20(21,22)23)9-14(12-4-2-3-5-15(12)30-19)26-18(28)24-11-6-7-16-13(8-11)25-17(27)10-29-16/h2-8,14H,9-10H2,1H3,(H,25,27)(H2,24,26,28)/t14-,19-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RIMDYISZNODGFW-AUUYWEPGSA-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