General Information of the Compound
| Compound ID |
CP0544399
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9428456, 1.070
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H33ClN4O2
|
||||||||||||||||||
| Molecular Weight |
469.029
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(C(=O)Nc2cccc(CN3CCC(CC3)C(=O)NC3CCCCC3)c2)c(Cl)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H33ClN4O2/c1-18-10-11-23(24(27)28-18)26(33)30-22-9-5-6-19(16-22)17-31-14-12-20(13-15-31)25(32)29-21-7-3-2-4-8-21/h5-6,9-11,16,20-21H,2-4,7-8,12-15,17H2,1H3,(H,29,32)(H,30,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VNVMADASNDWPSB-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