General Information of the Compound
| Compound ID |
CP0769720
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(Z)-(4-((2-Oxo-4-thioxothiazolidin-5-ylidene)methyl)phenyl)-phosphonic Acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C10H8NO4PS2
|
||||||||||||||||||
| Molecular Weight |
301.285
|
||||||||||||||||||
| Canonical SMILES |
O=C1NC(=S)/C(=C/c2ccc(P(=O)(O)O)cc2)S1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C10H8NO4PS2/c12-10-11-9(17)8(18-10)5-6-1-3-7(4-2-6)16(13,14)15/h1-5H,(H,11,12,17)(H2,13,14,15)/b8-5-
Show/Hide
|
||||||||||||||||||
| InChIKey |
VLKVMYBEIKOHEI-YVMONPNESA-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