General Information of the Compound
| Compound ID |
CP0546611
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10562910, Example 1
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H17Cl2FN2O5
|
||||||||||||||||||
| Molecular Weight |
539.346
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)c1ccc2c(Oc3ccc(OCc4c(onc4-c4c(Cl)cccc4Cl)C4CC4)nc3C=C2F)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H17Cl2FN2O5/c28-17-2-1-3-18(29)24(17)25-16(26(37-32-25)13-4-5-13)12-35-23-9-8-21-20(31-23)11-19(30)15-7-6-14(27(33)34)10-22(15)36-21/h1-3,6-11,13H,4-5,12H2,(H,33,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FLCKGOOCCIMGCT-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