General Information of the Compound
| Compound ID |
CP0382597
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-bromo-6-undecylthieno[3,2-b]thiophene-5-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H25BrO2S2
|
||||||||||||||||||
| Molecular Weight |
417.434
|
||||||||||||||||||
| Canonical SMILES |
CCCCCCCCCCCc1c(sc2c(Br)csc12)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H25BrO2S2/c1-2-3-4-5-6-7-8-9-10-11-13-15-17(14(19)12-22-15)23-16(13)18(20)21/h12H,2-11H2,1H3,(H,20,21)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QPPRWJDMLFTECO-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