General Information of the Compound
| Compound ID |
CP0362596
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-[[[1-[[(3R)-5-fluoro-3-hydroxy-11-oxo-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-3-yl]methyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-8-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H26FN5O5
|
||||||||||||||||||
| Molecular Weight |
519.533
|
||||||||||||||||||
| Canonical SMILES |
O[C@@]1(CC23CCC(CC2)(CO3)NCc2ncc3OCCOc3c2C#N)Cn2c3c1c(F)cnc3ccc2=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H26FN5O5/c28-17-10-30-18-1-2-21(34)33-14-27(35,22(17)23(18)33)13-26-5-3-25(4-6-26,15-38-26)32-11-19-16(9-29)24-20(12-31-19)36-7-8-37-24/h1-2,10,12,32,35H,3-8,11,13-15H2/t25?,26?,27-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KGEFQILOVGDHLC-RCSZBHJWSA-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