General Information of the Compound
| Compound ID |
CP0393073
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
furan-2-ylmethyl 2-(3,4-dichlorophenyl)cyclopentene-1-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H14Cl2O3
|
||||||||||||||||||
| Molecular Weight |
337.202
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc(cc1Cl)C1=C(CCC1)C(=O)OCc1ccco1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H14Cl2O3/c18-15-7-6-11(9-16(15)19)13-4-1-5-14(13)17(20)22-10-12-3-2-8-21-12/h2-3,6-9H,1,4-5,10H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
GBLKVAKAYJPCCZ-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
Protein ID: PT00884, Sodium-dependent dopamine transporter
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter