General Information of the Compound
| Compound ID |
CP0555033
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2,2 -Trithiobis( 1H-indole-3-acetic acid)
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H16N2O4S3
|
||||||||||||||||||
| Molecular Weight |
444.559
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)Cc1c(SSSc2[nH]c3ccccc3c2CC(O)=O)[nH]c2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H16N2O4S3/c23-17(24)9-13-11-5-1-3-7-15(11)21-19(13)27-29-28-20-14(10-18(25)26)12-6-2-4-8-16(12)22-20/h1-8,21-22H,9-10H2,(H,23,24)(H,25,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LYVWHGOHXVDLCI-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