General Information of the Compound
| Compound ID |
CP0577811
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8969325, 214
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H19F4N3O3
|
||||||||||||||||||
| Molecular Weight |
437.393
|
||||||||||||||||||
| Canonical SMILES |
FCC1(CF)C[C@@H](NC(=O)Nc2ccc3CCC(=O)Nc3c2)c2cc(F)cc(F)c2O1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H19F4N3O3/c22-9-21(10-23)8-17(14-5-12(24)6-15(25)19(14)31-21)28-20(30)26-13-3-1-11-2-4-18(29)27-16(11)7-13/h1,3,5-7,17H,2,4,8-10H2,(H,27,29)(H2,26,28,30)/t17-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
AVPNLRVBXZPDRO-QGZVFWFLSA-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