General Information of the Compound
| Compound ID |
CP0557191
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-[[[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]-4H-1,4-benzoxazin-3-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H27FN4O5
|
||||||||||||||||||
| Molecular Weight |
506.534
|
||||||||||||||||||
| Canonical SMILES |
O[C@@]1(CC23CCC(CC2)(CO3)NCc2ccc3OCC(=O)Nc3c2)Cn2c3c1c(F)cnc3ccc2=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H27FN4O5/c28-17-11-29-18-2-4-22(34)32-14-27(35,23(17)24(18)32)13-26-7-5-25(6-8-26,15-37-26)30-10-16-1-3-20-19(9-16)31-21(33)12-36-20/h1-4,9,11,30,35H,5-8,10,12-15H2,(H,31,33)/t25?,26?,27-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZPBHSQGTZVLBCF-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