General Information of the Compound
| Compound ID |
CP0379776
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9249085, I(m)
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H18F3NO3
|
||||||||||||||||||
| Molecular Weight |
401.384
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(OCC(O)=O)ccc(F)c1NCc1cc(ccc1F)-c1cccc(F)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H18F3NO3/c1-13-20(29-12-21(27)28)8-7-19(25)22(13)26-11-16-9-15(5-6-18(16)24)14-3-2-4-17(23)10-14/h2-10,26H,11-12H2,1H3,(H,27,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WHNDHAXTZOWVIT-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