General Information of the Compound
| Compound ID |
CP0186425
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(2H-1,3-benzodioxol-5-yl)-4-[2-(pyridin-4-yl)ethyl]-1,3-thiazole-5-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H15N3O3S
|
||||||||||||||||||
| Molecular Weight |
353.403
|
||||||||||||||||||
| Canonical SMILES |
O=C(Nc1ccc2OCOc2c1)c1scnc1CCc1ccncc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H15N3O3S/c22-18(21-13-2-4-15-16(9-13)24-11-23-15)17-14(20-10-25-17)3-1-12-5-7-19-8-6-12/h2,4-10H,1,3,11H2,(H,21,22)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UHBAGGNPCCDGLV-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