General Information of the Compound
| Compound ID |
CP0455557
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
ethyl 4-[3-(N-(4-fluorophenyl)sulfonyl-3-phenoxyanilino)propanoylamino]benzoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H27FN2O6S
|
||||||||||||||||||
| Molecular Weight |
562.619
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)c1ccc(NC(=O)CCN(c2cccc(Oc3ccccc3)c2)S(=O)(=O)c2ccc(F)cc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H27FN2O6S/c1-2-38-30(35)22-11-15-24(16-12-22)32-29(34)19-20-33(40(36,37)28-17-13-23(31)14-18-28)25-7-6-10-27(21-25)39-26-8-4-3-5-9-26/h3-18,21H,2,19-20H2,1H3,(H,32,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CBKUCVYNAYIMAL-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