General Information of the Compound
| Compound ID |
CP0934514
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
rac-N-(2-(1,1-difluoro-5-azaspiro[2.4]heptan-5-yl)-3-(4-fluorophenyl)propyl)-1-(4-fluorophenyl)cyclopentanecarboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H30F4N2O
|
||||||||||||||||||
| Molecular Weight |
474.542
|
||||||||||||||||||
| Canonical SMILES |
O=C(NCC(Cc1ccc(F)cc1)N1CCC2(C1)CC2(F)F)C1(c2ccc(F)cc2)CCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H30F4N2O/c28-21-7-3-19(4-8-21)15-23(33-14-13-25(18-33)17-27(25,30)31)16-32-24(34)26(11-1-2-12-26)20-5-9-22(29)10-6-20/h3-10,23H,1-2,11-18H2,(H,32,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LBTCJGMMWRVTFP-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