General Information of the Compound
| Compound ID |
CP0489147
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
ethyl 2-[[3,3-diphenylpropyl(2-morpholin-4-ylethyl)carbamoyl]amino]-1,3-benzothiazole-6-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H36N4O4S
|
||||||||||||||||||
| Molecular Weight |
572.731
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)c1ccc2nc(NC(=O)N(CCC(c3ccccc3)c3ccccc3)CCN3CCOCC3)sc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H36N4O4S/c1-2-40-30(37)26-13-14-28-29(23-26)41-31(33-28)34-32(38)36(18-17-35-19-21-39-22-20-35)16-15-27(24-9-5-3-6-10-24)25-11-7-4-8-12-25/h3-14,23,27H,2,15-22H2,1H3,(H,33,34,38)
Show/Hide
|
||||||||||||||||||
| InChIKey |
OXHNKLWZYBWYDC-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