General Information of the Compound
| Compound ID |
CP0561266
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9428456, 1.108
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H37N3O2
|
||||||||||||||||||
| Molecular Weight |
447.623
|
||||||||||||||||||
| Canonical SMILES |
Cc1cccc(C)c1C(=O)Nc1cccc(CN2CCC(CC2)C(=O)NC2CCCCC2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H37N3O2/c1-20-8-6-9-21(2)26(20)28(33)30-25-13-7-10-22(18-25)19-31-16-14-23(15-17-31)27(32)29-24-11-4-3-5-12-24/h6-10,13,18,23-24H,3-5,11-12,14-17,19H2,1-2H3,(H,29,32)(H,30,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DJDTWTGIORYELG-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