General Information of the Compound
| Compound ID |
CP0442816
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9216182, 1.16
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H30N4O3
|
||||||||||||||||||
| Molecular Weight |
374.485
|
||||||||||||||||||
| Canonical SMILES |
CC(C)N1CCN(CC1)C(=O)OC1CCN(CC1)c1ccc(cn1)C(C)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H30N4O3/c1-15(2)22-10-12-24(13-11-22)20(26)27-18-6-8-23(9-7-18)19-5-4-17(14-21-19)16(3)25/h4-5,14-15,18H,6-13H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
PXYBNBUYQUUNSN-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