General Information of the Compound
| Compound ID |
CP0090698
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-2-(1-(4-(Azidomethyl)benzylidene)-5-fluoro-1H-inden-3-yl)-ethanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H14FN3O2
|
||||||||||||||||||
| Molecular Weight |
335.338
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)CC1=C\C(=C/c2ccc(CN=[N+]=[N-])cc2)c2ccc(F)cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H14FN3O2/c20-16-5-6-17-14(8-15(9-19(24)25)18(17)10-16)7-12-1-3-13(4-2-12)11-22-23-21/h1-8,10H,9,11H2,(H,24,25)/b14-7+
Show/Hide
|
||||||||||||||||||
| InChIKey |
YEZBAAFVXWXQDA-VGOFMYFVSA-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