General Information of the Compound
| Compound ID |
CP0478074
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9452986, 67
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H22F2N4O2
|
||||||||||||||||||
| Molecular Weight |
412.44
|
||||||||||||||||||
| Canonical SMILES |
CC1CN(CC(C)N1)C(=O)c1ccc2cc(Oc3ccc(cn3)C(F)F)ccc2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H22F2N4O2/c1-13-11-28(12-14(2)26-13)22(29)19-6-3-15-9-17(5-7-18(15)27-19)30-20-8-4-16(10-25-20)21(23)24/h3-10,13-14,21,26H,11-12H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
IDNDWBZRKZOKQO-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
Protein ID: PT02752, Sodium channel protein type 10 subunit alpha
Protein ID: PT01000, Sodium channel protein type 9 subunit alpha