General Information of the Compound
| Compound ID |
CP0556400
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8969325, 97
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H18F3N3O3
|
||||||||||||||||||
| Molecular Weight |
417.387
|
||||||||||||||||||
| Canonical SMILES |
Cn1c2cccc(NC(=O)N[C@@H]3CCOc4c3cccc4C(F)(F)F)c2ccc1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H18F3N3O3/c1-27-17-7-3-6-15(12(17)8-9-18(27)28)25-20(29)26-16-10-11-30-19-13(16)4-2-5-14(19)21(22,23)24/h2-9,16H,10-11H2,1H3,(H2,25,26,29)/t16-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YROZMNNPRZGPFL-MRXNPFEDSA-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