General Information of the Compound
| Compound ID |
CP0220256
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9085576, 369
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H18F3N3O
|
||||||||||||||||||
| Molecular Weight |
385.389
|
||||||||||||||||||
| Canonical SMILES |
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NCC#Cc2ccccc2)ccc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H18F3N3O/c22-17-9-8-14(26-10-4-7-13-5-2-1-3-6-13)11-15(17)21(19(23)24)16-12-18(16)28-20(25)27-21/h1-3,5-6,8-9,11,16,18-19,26H,10,12H2,(H2,25,27)/t16-,18+,21+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GYJKAKNMSJQHRK-YRISNDGFSA-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