General Information of the Compound
| Compound ID |
CP0086043
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[(1S,2S)-2-[5-fluoro-2-(2-fluoroethoxy)phenyl]cyclopropyl]methanamine;hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C12H16ClF2NO
|
||||||||||||||||||
| Molecular Weight |
263.715
|
||||||||||||||||||
| Canonical SMILES |
Cl.NC[C@H]1C[C@@H]1c1cc(F)ccc1OCCF
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C12H15F2NO.ClH/c13-3-4-16-12-2-1-9(14)6-11(12)10-5-8(10)7-15;/h1-2,6,8,10H,3-5,7,15H2;1H/t8-,10+;/m1./s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RJWLRXULSMGYPC-SCYNACPDSA-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C