General Information of the Compound
| Compound ID |
CP0563448
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10100018, Example 39
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H21F2NO4
|
||||||||||||||||||
| Molecular Weight |
473.475
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)c1ccc(CN(Cc2ccccc2)C(=O)c2ccc(Oc3c(F)cccc3F)cc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H21F2NO4/c29-24-7-4-8-25(30)26(24)35-23-15-13-21(14-16-23)27(32)31(17-19-5-2-1-3-6-19)18-20-9-11-22(12-10-20)28(33)34/h1-16H,17-18H2,(H,33,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
URJZKDCTMMXNDL-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 | |||||||||||||||||||
| 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