General Information of the Compound
| Compound ID |
CP0561905
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9029381, 25
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H24N2O
|
||||||||||||||||||
| Molecular Weight |
284.403
|
||||||||||||||||||
| Canonical SMILES |
O=C([C@@H]1CC1c1ccccc1)N1CCN(CC1)C1CCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H24N2O/c21-18(17-13-16(17)14-5-2-1-3-6-14)20-11-9-19(10-12-20)15-7-4-8-15/h1-3,5-6,15-17H,4,7-13H2/t16?,17-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GZEMSLIEGKLMPR-ZYMOGRSISA-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