General Information of the Compound
| Compound ID |
CP0510889
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1S,2R)-2-(aminomethyl)-N-(2-fluoroprop-2-enyl)-N-(2-methoxyethyl)-1-thiophen-3-ylcyclopropane-1-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H21FN2O2S
|
||||||||||||||||||
| Molecular Weight |
312.41
|
||||||||||||||||||
| Canonical SMILES |
COCCN(CC(F)=C)C(=O)[C@]1(C[C@H]1CN)c1ccsc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H21FN2O2S/c1-11(16)9-18(4-5-20-2)14(19)15(7-13(15)8-17)12-3-6-21-10-12/h3,6,10,13H,1,4-5,7-9,17H2,2H3/t13-,15+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WDJLGAAWPRVZRR-DZGCQCFKSA-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: PT00884, Sodium-dependent dopamine transporter
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter