General Information of the Compound
| Compound ID |
CP0420617
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[3-(4-bromophenyl)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propyl]-1-(4-chlorophenyl)cyclopentane-1-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H31BrClF3N2O2
|
||||||||||||||||||
| Molecular Weight |
587.908
|
||||||||||||||||||
| Canonical SMILES |
OC1(CCN(CC1)C(CNC(=O)C1(CCCC1)c1ccc(Cl)cc1)Cc1ccc(Br)cc1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H31BrClF3N2O2/c28-21-7-3-19(4-8-21)17-23(34-15-13-26(36,14-16-34)27(30,31)32)18-33-24(35)25(11-1-2-12-25)20-5-9-22(29)10-6-20/h3-10,23,36H,1-2,11-18H2,(H,33,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VCXGBNHNTXKUCT-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