General Information of the Compound
| Compound ID |
CP0545385
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
sodium;bis(1-fluorobenzo[b][1]benzothiepin-6-yl) phosphate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H16F2NaO4PS2
|
||||||||||||||||||
| Molecular Weight |
572.526
|
||||||||||||||||||
| Canonical SMILES |
[Na+].[O-]P(=O)(OC1=Cc2cccc(F)c2Sc2ccccc12)OC1=Cc2cccc(F)c2Sc2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H17F2O4PS2.Na/c29-21-11-5-7-17-15-23(19-9-1-3-13-25(19)36-27(17)21)33-35(31,32)34-24-16-18-8-6-12-22(30)28(18)37-26-14-4-2-10-20(24)26;/h1-16H,(H,31,32);/q;+1/p-1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KVDJFYWKJFWUNK-UHFFFAOYSA-M
|
||||||||||||||||||
| 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 | |||||||||||||||||||
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