General Information of the Compound
| Compound ID |
CP0574117
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9428456, 2.016
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H36ClN3O2
|
||||||||||||||||||
| Molecular Weight |
482.068
|
||||||||||||||||||
| Canonical SMILES |
CC(NC(=O)C1CCN(Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)CC1)C1CCCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H36ClN3O2/c1-20(22-7-3-2-4-8-22)30-27(33)24-14-16-32(17-15-24)19-21-6-5-9-26(18-21)31-28(34)23-10-12-25(29)13-11-23/h5-6,9-13,18,20,22,24H,2-4,7-8,14-17,19H2,1H3,(H,30,33)(H,31,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PKEFUHIIAUUVHW-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