General Information of the Compound
| Compound ID |
CP0384487
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[[(E)-3-(2-chloro-3,4-dimethoxyphenyl)prop-2-enoyl]amino]cyclohexene-1-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H20ClNO5
|
||||||||||||||||||
| Molecular Weight |
365.813
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(\C=C\C(=O)NC2=C(CCCC2)C(O)=O)c(Cl)c1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H20ClNO5/c1-24-14-9-7-11(16(19)17(14)25-2)8-10-15(21)20-13-6-4-3-5-12(13)18(22)23/h7-10H,3-6H2,1-2H3,(H,20,21)(H,22,23)/b10-8+
Show/Hide
|
||||||||||||||||||
| InChIKey |
NQANFDUULSLBMF-CSKARUKUSA-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