General Information of the Compound
| Compound ID |
CP0403662
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Dimethyl 2,2 -Dithiobis(1H-indole-3-butanoate)
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H28N2O4S2
|
||||||||||||||||||
| Molecular Weight |
496.654
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)CCCc1c(SSc2[nH]c3ccccc3c2CCCC(=O)OC)[nH]c2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H28N2O4S2/c1-31-23(29)15-7-11-19-17-9-3-5-13-21(17)27-25(19)33-34-26-20(12-8-16-24(30)32-2)18-10-4-6-14-22(18)28-26/h3-6,9-10,13-14,27-28H,7-8,11-12,15-16H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
LTADMBRWQKYQNQ-UHFFFAOYSA-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