General Information of the Compound
| Compound ID |
CP0510490
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-Methyl-3-(4-methylpiperazin-1-yl)-7-(2-(piperidin-1-yl)ethoxy)-2H-chromen-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H31N3O3
|
||||||||||||||||||
| Molecular Weight |
385.508
|
||||||||||||||||||
| Canonical SMILES |
CN1CCN(CC1)c1c(C)c2ccc(OCCN3CCCCC3)cc2oc1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H31N3O3/c1-17-19-7-6-18(27-15-14-24-8-4-3-5-9-24)16-20(19)28-22(26)21(17)25-12-10-23(2)11-13-25/h6-7,16H,3-5,8-15H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
NHBGIVPHKOJTLA-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