General Information of the Compound
| Compound ID |
CP0422725
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-4-chloro-N-[2-(6-fluoro-1H-indazol-3-yl)phenyl]but-2-enamide
Show/Hide
|
||||||||||||||||||
| Formula |
C17H13ClFN3O
|
||||||||||||||||||
| Molecular Weight |
329.762
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc2c(n[nH]c2c1)-c1ccccc1NC(=O)\C=C\CCl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H13ClFN3O/c18-9-3-6-16(23)20-14-5-2-1-4-12(14)17-13-8-7-11(19)10-15(13)21-22-17/h1-8,10H,9H2,(H,20,23)(H,21,22)/b6-3+
Show/Hide
|
||||||||||||||||||
| InChIKey |
VXMKVKQBHFFHCH-ZZXKWVIFSA-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 | |||||||||||||||||||
| 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