General Information of the Compound
| Compound ID |
CP0451829
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(2,4-Dichloro-phenoxy)-N-[2-(4-ethyl-piperazin-1-yl)-4-methyl-quinolin-6-yl]-propionamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H28Cl2N4O2
|
||||||||||||||||||
| Molecular Weight |
487.431
|
||||||||||||||||||
| Canonical SMILES |
CCN1CCN(CC1)c1cc(C)c2cc(NC(=O)C(C)Oc3ccc(Cl)cc3Cl)ccc2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H28Cl2N4O2/c1-4-30-9-11-31(12-10-30)24-13-16(2)20-15-19(6-7-22(20)29-24)28-25(32)17(3)33-23-8-5-18(26)14-21(23)27/h5-8,13-15,17H,4,9-12H2,1-3H3,(H,28,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WACZZEOIDRYYDD-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