General Information of the Compound
| Compound ID |
CP0391626
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[(1E)-1-[8-[[8-chloro-2-(methoxymethyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3-fluoro-6H-benzo[c][1]benzoxepin-11-ylidene]ethyl]-4H-1,2,4-oxadiazol-5-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H22ClFN4O4
|
||||||||||||||||||
| Molecular Weight |
532.959
|
||||||||||||||||||
| Canonical SMILES |
COCc1nc2c(Cl)cccn2c1Cc1ccc2c(COc3cc(F)ccc3\C2=C(/C)c2noc(=O)[nH]2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H22ClFN4O4/c1-15(26-32-28(35)38-33-26)25-19-7-5-16(10-17(19)13-37-24-12-18(30)6-8-20(24)25)11-23-22(14-36-2)31-27-21(29)4-3-9-34(23)27/h3-10,12H,11,13-14H2,1-2H3,(H,32,33,35)/b25-15+
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZIUZEZVWWPZBBQ-MFKUBSTISA-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