General Information of the Compound
| Compound ID |
CP0558281
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[5-[[2-(3,4-dichlorophenyl)ethylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]benzonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H16Cl2N4S
|
||||||||||||||||||
| Molecular Weight |
427.36
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc(CCNCc2c(nc3sccn23)-c2ccc(cc2)C#N)cc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H16Cl2N4S/c22-17-6-3-14(11-18(17)23)7-8-25-13-19-20(26-21-27(19)9-10-28-21)16-4-1-15(12-24)2-5-16/h1-6,9-11,25H,7-8,13H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
HJUGEDMGIPUTKC-UHFFFAOYSA-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