General Information of the Compound
| Compound ID |
CP0077899
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Anti-Lewisite
Show/Hide
|
||||||||||||||||||
| Synonyms |
Dimercaprol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C3H8OS2
|
||||||||||||||||||
| Molecular Weight |
124.23
|
||||||||||||||||||
| Canonical SMILES |
OCC(S)CS
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C3H8OS2/c4-1-3(6)2-5/h3-6H,1-2H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
WQABCVAJNWAXTE-UHFFFAOYSA-N
|
||||||||||||||||||
| CAS |
59-52-9
81600-56-8
98923-19-4
31855-41-1
|
||||||||||||||||||
| 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 | |||||||||||||||||||
| DrugBank 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
Clinical Information about the Compound