General Information of the Compound
| Compound ID |
CP0910856
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9133168, Example 7d
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H35N5O3
|
||||||||||||||||||
| Molecular Weight |
465.598
|
||||||||||||||||||
| Canonical SMILES |
CCCN1CCCCC1c1cccc2c1CCN2C(=O)Cc1nc(N2CCOCC2)cc(=O)[nH]1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H35N5O3/c1-2-10-29-11-4-3-7-21(29)19-6-5-8-22-20(19)9-12-31(22)26(33)17-23-27-24(18-25(32)28-23)30-13-15-34-16-14-30/h5-6,8,18,21H,2-4,7,9-17H2,1H3,(H,27,28,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BHQXQFMLBHVXKN-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