General Information of the Compound
| Compound ID |
CP0396322
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl 4-[(2,4-dichloro-5-sulfamoylbenzoyl)amino]butanoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C12H14Cl2N2O5S
|
||||||||||||||||||
| Molecular Weight |
369.226
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)CCCNC(=O)c1cc(c(Cl)cc1Cl)S(N)(=O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C12H14Cl2N2O5S/c1-21-11(17)3-2-4-16-12(18)7-5-10(22(15,19)20)9(14)6-8(7)13/h5-6H,2-4H2,1H3,(H,16,18)(H2,15,19,20)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HPOYDHZZGCZYRF-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