General Information of the Compound
| Compound ID |
CP0963852
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(Z)-azetidin-3-yl 3-(3-(3-chlorophenyl)-1H-1,2,4-triazol-1-yl)acrylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C14H13ClN4O2
|
||||||||||||||||||
| Molecular Weight |
304.737
|
||||||||||||||||||
| Canonical SMILES |
O=C(/C=C\n1cnc(-c2cccc(Cl)c2)n1)OC1CNC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H13ClN4O2/c15-11-3-1-2-10(6-11)14-17-9-19(18-14)5-4-13(20)21-12-7-16-8-12/h1-6,9,12,16H,7-8H2/b5-4-
Show/Hide
|
||||||||||||||||||
| InChIKey |
YRGDGEZHLWOGQS-PLNGDYQASA-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