General Information of the Compound
| Compound ID |
CP0531311
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9428456, 2.014
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H30ClF2N3O2
|
||||||||||||||||||
| Molecular Weight |
489.994
|
||||||||||||||||||
| Canonical SMILES |
FC1(F)CCC(CC1)NC(=O)C1CCN(Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H30ClF2N3O2/c27-21-6-4-19(5-7-21)24(33)31-23-3-1-2-18(16-23)17-32-14-10-20(11-15-32)25(34)30-22-8-12-26(28,29)13-9-22/h1-7,16,20,22H,8-15,17H2,(H,30,34)(H,31,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XOCDTMWPZROXDL-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