General Information of the Compound
| Compound ID |
CP0389421
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[[(E)-3-(2-chloroquinolin-3-yl)prop-2-enoyl]amino]cyclohexene-1-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H17ClN2O3
|
||||||||||||||||||
| Molecular Weight |
356.809
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)C1=C(CCCC1)NC(=O)\C=C\c1cc2ccccc2nc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H17ClN2O3/c20-18-13(11-12-5-1-3-7-15(12)22-18)9-10-17(23)21-16-8-4-2-6-14(16)19(24)25/h1,3,5,7,9-11H,2,4,6,8H2,(H,21,23)(H,24,25)/b10-9+
Show/Hide
|
||||||||||||||||||
| InChIKey |
IGTQKGWKKCOSPJ-MDZDMXLPSA-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