General Information of the Compound
| Compound ID |
CP0404512
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
ethyl 4-[3-[3,4-dichloro-N-[(4-fluorophenyl)methyl]anilino]propanoylamino]benzoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H23Cl2FN2O3
|
||||||||||||||||||
| Molecular Weight |
489.374
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)c1ccc(NC(=O)CCN(Cc2ccc(F)cc2)c2ccc(Cl)c(Cl)c2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H23Cl2FN2O3/c1-2-33-25(32)18-5-9-20(10-6-18)29-24(31)13-14-30(16-17-3-7-19(28)8-4-17)21-11-12-22(26)23(27)15-21/h3-12,15H,2,13-14,16H2,1H3,(H,29,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DRLFDBPFQYEGTH-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