General Information of the Compound
| Compound ID |
CP0422421
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9303045, 49
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H20F3N3O3
|
||||||||||||||||||
| Molecular Weight |
383.37
|
||||||||||||||||||
| Canonical SMILES |
CN1C2COCC1CC(C2)OC(=O)c1cn(CC(F)(F)F)c2ncccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H20F3N3O3/c1-23-11-5-13(6-12(23)9-26-8-11)27-17(25)15-7-24(10-18(19,20)21)16-14(15)3-2-4-22-16/h2-4,7,11-13H,5-6,8-10H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
KRGNCEFMJYXXEC-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