General Information of the Compound
| Compound ID |
CP0173001
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9765054, Compound 56c
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H20F2N2O2
|
||||||||||||||||||
| Molecular Weight |
358.388
|
||||||||||||||||||
| Canonical SMILES |
ONC(=O)[C@@H]1[C@@H]([C@H]1c1ccc(cc1)N1CCC(F)(F)C1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H20F2N2O2/c21-20(22)10-11-24(12-20)15-8-6-14(7-9-15)17-16(18(17)19(25)23-26)13-4-2-1-3-5-13/h1-9,16-18,26H,10-12H2,(H,23,25)/t16-,17-,18-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VJLWXMRFMHLDQI-KZNAEPCWSA-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