General Information of the Compound
| Compound ID |
CP0550248
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
bis(benzo[b][1]benzothiepin-5-yl) methyl phosphate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H21O4PS2
|
||||||||||||||||||
| Molecular Weight |
528.591
|
||||||||||||||||||
| Canonical SMILES |
COP(=O)(OC1=Cc2ccccc2Sc2ccccc12)OC1=Cc2ccccc2Sc2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H21O4PS2/c1-31-34(30,32-24-18-20-10-2-6-14-26(20)35-28-16-8-4-12-22(24)28)33-25-19-21-11-3-7-15-27(21)36-29-17-9-5-13-23(25)29/h2-19H,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
PBUSMOSEGOPFOY-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 | |||||||||||||||||||
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