General Information of the Compound
| Compound ID |
CP0413747
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
ethyl 2-(1,3-benzothiazole-2-carbonylamino)-3-imidazol-1-ylpropanoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H16N4O3S
|
||||||||||||||||||
| Molecular Weight |
344.396
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)C(Cn1ccnc1)NC(=O)c1nc2ccccc2s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H16N4O3S/c1-2-23-16(22)12(9-20-8-7-17-10-20)18-14(21)15-19-11-5-3-4-6-13(11)24-15/h3-8,10,12H,2,9H2,1H3,(H,18,21)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HIVWJURYEDRGCA-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