General Information of the Compound
| Compound ID |
CP0455993
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9216182, 1.52
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H30N4O4
|
||||||||||||||||||
| Molecular Weight |
402.495
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)c1cccc(n1)N1CCC(CC1)OC(=O)N1CCN(CC1)C1CCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H30N4O4/c1-28-20(26)18-6-3-7-19(22-18)24-10-8-17(9-11-24)29-21(27)25-14-12-23(13-15-25)16-4-2-5-16/h3,6-7,16-17H,2,4-5,8-15H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
YDAOSFAJGZAAAJ-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