General Information of the Compound
| Compound ID |
CP0493901
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-3-(4-(2-(2-(3,5-dimethoxyphenyl)-5-methyloxazol-4-yl)ethoxy)benzo[b]thiophen-7-yl)-2-methoxypropanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H27NO7S
|
||||||||||||||||||
| Molecular Weight |
497.569
|
||||||||||||||||||
| Canonical SMILES |
CO[C@@H](Cc1ccc(OCCc2nc(oc2C)-c2cc(OC)cc(OC)c2)c2ccsc12)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H27NO7S/c1-15-21(27-25(34-15)17-11-18(30-2)14-19(12-17)31-3)7-9-33-22-6-5-16(13-23(32-4)26(28)29)24-20(22)8-10-35-24/h5-6,8,10-12,14,23H,7,9,13H2,1-4H3,(H,28,29)/t23-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WAEQTAKZLFYNLE-QHCPKHFHSA-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