General Information of the Compound
| Compound ID |
CP0546062
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-1-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-4,4-dimethylpyrrolidine-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H25FN2O2
|
||||||||||||||||||
| Molecular Weight |
356.441
|
||||||||||||||||||
| Canonical SMILES |
CC1(C)C[C@H](N(Cc2ccc(OCc3cccc(F)c3)cc2)C1)C(N)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H25FN2O2/c1-21(2)11-19(20(23)25)24(14-21)12-15-6-8-18(9-7-15)26-13-16-4-3-5-17(22)10-16/h3-10,19H,11-14H2,1-2H3,(H2,23,25)/t19-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HFVPWDUISWUPNM-IBGZPJMESA-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
Protein ID: PT00918, Amine oxidase [flavin-containing] A
Protein ID: PT01362, Amine oxidase [flavin-containing] B