General Information of the Compound
| Compound ID |
CP0407431
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[(2R,4aR,5S,6R,7aS)-5-[(4-chloro-3-methoxyphenoxy)methyl]-6-hydroxy-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-2-yl]-1,3-thiazole-4-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H22ClNO6S
|
||||||||||||||||||
| Molecular Weight |
439.917
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(OC[C@H]2[C@H](O)C[C@@H]3O[C@H](CC[C@H]23)c2nc(cs2)C(O)=O)ccc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H22ClNO6S/c1-26-18-6-10(2-4-13(18)21)27-8-12-11-3-5-16(28-17(11)7-15(12)23)19-22-14(9-29-19)20(24)25/h2,4,6,9,11-12,15-17,23H,3,5,7-8H2,1H3,(H,24,25)/t11-,12-,15-,16-,17+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BVZWHZAYDDHJBI-NKMGPIEYSA-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