General Information of the Compound
| Compound ID |
CP0915073
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(2-(7-(diethylamino)-2-oxo-2H-chromen-3-yl)vinyl)-1-(6-(3-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)phenoxy)-6-oxohexyl)-3,3-dimethyl-3H-indolium bromide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C50H59BrN4O5
|
||||||||||||||||||
| Molecular Weight |
875.949
|
||||||||||||||||||
| Canonical SMILES |
CCN(CC)c1ccc2cc(/C=C/C3=[N+](CCCCCC(=O)Oc4cccc(CCN5CCN(c6ccccc6OC)CC5)c4)c4ccccc4C3(C)C)c(=O)oc2c1.[Br-]
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C50H59N4O5.BrH/c1-6-52(7-2)40-25-23-38-35-39(49(56)59-46(38)36-40)24-26-47-50(3,4)42-18-10-11-19-43(42)54(47)28-14-8-9-22-48(55)58-41-17-15-16-37(34-41)27-29-51-30-32-53(33-31-51)44-20-12-13-21-45(44)57-5;/h10-13,15-21,23-26,34-36H,6-9,14,22,27-33H2,1-5H3;1H/q+1;/p-1
Show/Hide
|
||||||||||||||||||
| InChIKey |
IEZATBQSACZKON-UHFFFAOYSA-M
|
||||||||||||||||||
| 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