General Information of the Compound
| Compound ID |
CP0917416
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(Z)-2-((E)-3-(3-methoxyphenyl)-1-phenylallylidene)hydrazinecarbothioamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H17N3OS
|
||||||||||||||||||
| Molecular Weight |
311.41
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(/C=C/C(=N/NC(N)=S)c2ccccc2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H17N3OS/c1-21-15-9-5-6-13(12-15)10-11-16(19-20-17(18)22)14-7-3-2-4-8-14/h2-12H,1H3,(H3,18,20,22)/b11-10+,19-16-
Show/Hide
|
||||||||||||||||||
| InChIKey |
NMJRULJODMFXJY-RNXVZWMWSA-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