General Information of the Compound
| Compound ID |
CP0418128
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9169224, 52
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H19F2N3O3
|
||||||||||||||||||
| Molecular Weight |
375.375
|
||||||||||||||||||
| Canonical SMILES |
FC1(F)Oc2ccc(CN3CCN(CC3)C(=O)Nc3ccccc3)cc2O1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H19F2N3O3/c20-19(21)26-16-7-6-14(12-17(16)27-19)13-23-8-10-24(11-9-23)18(25)22-15-4-2-1-3-5-15/h1-7,12H,8-11,13H2,(H,22,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LWANTKLMGLEVHN-UHFFFAOYSA-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