General Information of the Compound
| Compound ID |
CP0939908
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-{1-[(Butyl-ethyl-amino)-methyl]-2-oxo-propyl}-4-hydroxy-4a,8a-dihydro-chromen-2-one
Show/Hide
|
||||||||||||||||||
| Formula |
C19H27NO4
|
||||||||||||||||||
| Molecular Weight |
333.428
|
||||||||||||||||||
| Canonical SMILES |
CCCCN(CC)CC(C(C)=O)C1=C(O)OC2C=CC=CC2C1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H27NO4/c1-4-6-11-20(5-2)12-15(13(3)21)17-18(22)14-9-7-8-10-16(14)24-19(17)23/h7-10,14-16,23H,4-6,11-12H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
VRWYJLYADFQDOO-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 | |||||||||||||||||||
| 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