General Information of the Compound
| Compound ID |
CP0561445
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9034874, 2.3
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H28N4O3
|
||||||||||||||||||
| Molecular Weight |
348.447
|
||||||||||||||||||
| Canonical SMILES |
CC(C)N1CCN(CC1)C(=O)OC1CCN(CC1)c1cc[nH]c(=O)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H28N4O3/c1-14(2)20-9-11-22(12-10-20)18(24)25-16-4-7-21(8-5-16)15-3-6-19-17(23)13-15/h3,6,13-14,16H,4-5,7-12H2,1-2H3,(H,19,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JEOAGENLLSBVFS-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