General Information of the Compound
| Compound ID |
CP0290887
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-hydroxy-7-[(1R)-1-hydroxy-2-[3-[2-[methyl(2-phenylethyl)amino]ethoxy]propylamino]ethyl]-3H-1,3-benzothiazol-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H31N3O4S
|
||||||||||||||||||
| Molecular Weight |
445.585
|
||||||||||||||||||
| Canonical SMILES |
CN(CCOCCCNC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12)CCc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H31N3O4S/c1-26(12-10-17-6-3-2-4-7-17)13-15-30-14-5-11-24-16-20(28)18-8-9-19(27)21-22(18)31-23(29)25-21/h2-4,6-9,20,24,27-28H,5,10-16H2,1H3,(H,25,29)/t20-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
AJVZNDDUZGAVJT-FQEVSTJZSA-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