General Information of the Compound
| Compound ID |
CP0943846
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(Z)-tetrahydrofuran-3-yl 3-(3-(3-chlorophenyl)-1H-1,2,4-triazol-1-yl)acrylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H14ClN3O3
|
||||||||||||||||||
| Molecular Weight |
319.748
|
||||||||||||||||||
| Canonical SMILES |
O=C(/C=C\n1cnc(-c2cccc(Cl)c2)n1)OC1CCOC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H14ClN3O3/c16-12-3-1-2-11(8-12)15-17-10-19(18-15)6-4-14(20)22-13-5-7-21-9-13/h1-4,6,8,10,13H,5,7,9H2/b6-4-
Show/Hide
|
||||||||||||||||||
| InChIKey |
ORQSUPVZELZCDF-XQRVVYSFSA-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