General Information of the Compound
| Compound ID |
CP0508375
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethyl-methylamino]ethyl]-N-methyl-3-(2-phenylethoxy)propanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H31N3O4S
|
||||||||||||||||||
| Molecular Weight |
457.596
|
||||||||||||||||||
| Canonical SMILES |
CN(CCN(C)C(=O)CCOCCc1ccccc1)CCc1ccc(O)c2[nH]c(=O)sc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H31N3O4S/c1-26(13-10-19-8-9-20(28)22-23(19)32-24(30)25-22)14-15-27(2)21(29)12-17-31-16-11-18-6-4-3-5-7-18/h3-9,28H,10-17H2,1-2H3,(H,25,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XQAMTRGICPPPJO-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