General Information of the Compound
| Compound ID |
CP0454816
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2,2 -Dithiobis(1H-indole-3-butanoic acid)
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H24N2O4S2
|
||||||||||||||||||
| Molecular Weight |
468.6
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)CCCc1c(SSc2[nH]c3ccccc3c2CCCC(O)=O)[nH]c2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H24N2O4S2/c27-21(28)13-5-9-17-15-7-1-3-11-19(15)25-23(17)31-32-24-18(10-6-14-22(29)30)16-8-2-4-12-20(16)26-24/h1-4,7-8,11-12,25-26H,5-6,9-10,13-14H2,(H,27,28)(H,29,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NDFJNVBQNXXJTB-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