General Information of the Compound
| Compound ID |
CP0400332
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5,5'-carbonylbis(azanediyl)bis(2-(4-acetamido-2-sulfostyryl)benzenesulfonic acid)
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H30N4O15S4
|
||||||||||||||||||
| Molecular Weight |
850.884
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)Nc1ccc(\C=C\c2ccc(NC(=O)Nc3ccc(\C=C\c4ccc(NC(C)=O)cc4S(O)(=O)=O)c(c3)S(O)(=O)=O)cc2S(O)(=O)=O)c(c1)S(O)(=O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H30N4O15S4/c1-19(38)34-25-11-7-21(29(15-25)53(41,42)43)3-5-23-9-13-27(17-31(23)55(47,48)49)36-33(40)37-28-14-10-24(32(18-28)56(50,51)52)6-4-22-8-12-26(35-20(2)39)16-30(22)54(44,45)46/h3-18H,1-2H3,(H,34,38)(H,35,39)(H2,36,37,40)(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52)/b5-3+,6-4+
Show/Hide
|
||||||||||||||||||
| InChIKey |
MUEXBLMMJSPLNW-GGWOSOGESA-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