General Information of the Compound
| Compound ID |
CP0930947
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(Z)-2-((E)-3-(2-chlorophenyl)-1-(4-methoxyphenyl)allylidene)hydrazinecarbothioamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H16ClN3OS
|
||||||||||||||||||
| Molecular Weight |
345.855
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(C(/C=C/c2ccccc2Cl)=N\NC(N)=S)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H16ClN3OS/c1-22-14-9-6-13(7-10-14)16(20-21-17(19)23)11-8-12-4-2-3-5-15(12)18/h2-11H,1H3,(H3,19,21,23)/b11-8+,20-16-
Show/Hide
|
||||||||||||||||||
| InChIKey |
CUHZYMQBPHMOEZ-DELYGBTISA-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