General Information of the Compound
| Compound ID |
CP0501386
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-Ethoxy-4-methyl-3-(4-methylpiperazin-1-yl)-2H-chromen-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H22N2O3
|
||||||||||||||||||
| Molecular Weight |
302.374
|
||||||||||||||||||
| Canonical SMILES |
CCOc1ccc2c(C)c(N3CCN(C)CC3)c(=O)oc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H22N2O3/c1-4-21-13-5-6-14-12(2)16(17(20)22-15(14)11-13)19-9-7-18(3)8-10-19/h5-6,11H,4,7-10H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
AZSQCMKPANDUGH-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