General Information of the Compound
| Compound ID |
CP0286019
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3R)-3-[[4-[(1,1-dioxo-2,3-dihydro-[1,4]oxathiino[2,3-c]pyridin-7-yl)methylamino]-2-oxabicyclo[2.2.2]octan-1-yl]methyl]-5-fluoro-3-hydroxy-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-11-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H27FN4O6S
|
||||||||||||||||||
| Molecular Weight |
542.589
|
||||||||||||||||||
| Canonical SMILES |
O[C@@]1(CC23CCC(CC2)(CO3)NCc2cc3c(OCCS3(=O)=O)cn2)Cn2c3c1c(F)cnc3ccc2=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H27FN4O6S/c27-17-11-29-18-1-2-21(32)31-14-26(33,22(17)23(18)31)13-25-5-3-24(4-6-25,15-37-25)30-10-16-9-20-19(12-28-16)36-7-8-38(20,34)35/h1-2,9,11-12,30,33H,3-8,10,13-15H2/t24?,25?,26-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XJZUXVITCPZPSL-WNMGUVTHSA-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