General Information of the Compound
| Compound ID |
CP0566164
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL2024512
Show/Hide
|
||||||||||||||||||
| Formula |
C23H34F3N3O2
|
||||||||||||||||||
| Molecular Weight |
441.538
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)N[C@H]1CC[C@H](CCN2CCN(Cc3cccc(c3)C(F)(F)F)CC2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H34F3N3O2/c1-2-31-22(30)27-21-8-6-18(7-9-21)10-11-28-12-14-29(15-13-28)17-19-4-3-5-20(16-19)23(24,25)26/h3-5,16,18,21H,2,6-15,17H2,1H3,(H,27,30)/t18-,21-
Show/Hide
|
||||||||||||||||||
| InChIKey |
IQAAMALQRNVNHH-XGAFWQRZSA-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 | |||||||||||||||||||
| 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