General Information of the Compound
| Compound ID |
CP0399879
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8969325, 54
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H21F3N4O4
|
||||||||||||||||||
| Molecular Weight |
450.417
|
||||||||||||||||||
| Canonical SMILES |
OCCN1Cc2ccc(NC(=O)N[C@@H]3CCOc4cc(ccc34)C(F)(F)F)cc2NC1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H21F3N4O4/c22-21(23,24)13-2-4-15-16(5-8-32-18(15)9-13)26-19(30)25-14-3-1-12-11-28(6-7-29)20(31)27-17(12)10-14/h1-4,9-10,16,29H,5-8,11H2,(H,27,31)(H2,25,26,30)/t16-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
LDNSRVPJJGNLDF-MRXNPFEDSA-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