General Information of the Compound
| Compound ID |
CP0467637
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10077266, Example 50
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H27F4N5O3
|
||||||||||||||||||
| Molecular Weight |
497.493
|
||||||||||||||||||
| Canonical SMILES |
COCC(=O)N1CCc2nc(NCC(F)F)c(nc2C1)N1CCC(CC1)Oc1ccc(F)cc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H27F4N5O3/c1-34-13-21(33)32-9-6-17-18(12-32)30-23(22(29-17)28-11-20(26)27)31-7-4-15(5-8-31)35-19-3-2-14(24)10-16(19)25/h2-3,10,15,20H,4-9,11-13H2,1H3,(H,28,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GDLRFXBQKYAJKF-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