General Information of the Compound
| Compound ID |
CP0453905
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(4-(2-(benzo[d]thiazol-2-yl(benzyl)amino)ethoxy)-2-methylphenyl)propanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H26N2O3S
|
||||||||||||||||||
| Molecular Weight |
446.572
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(OCCN(Cc2ccccc2)c2nc3ccccc3s2)ccc1CCC(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H26N2O3S/c1-19-17-22(13-11-21(19)12-14-25(29)30)31-16-15-28(18-20-7-3-2-4-8-20)26-27-23-9-5-6-10-24(23)32-26/h2-11,13,17H,12,14-16,18H2,1H3,(H,29,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CXELXRFOFBSEDQ-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