General Information of the Compound
| Compound ID |
CP0066347
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-(3-{[(1S)-1-(carboxymethyl)-2,3-dihydro-1H-inden-5-yl]oxy}propoxy)-3-methoxyphenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H27NO7S
|
||||||||||||||||||
| Molecular Weight |
497.569
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nc(C)c(s1)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H27NO7S/c1-15-24(26(30)31)35-25(27-15)18-6-9-21(22(13-18)32-2)34-11-3-10-33-19-7-8-20-16(12-19)4-5-17(20)14-23(28)29/h6-9,12-13,17H,3-5,10-11,14H2,1-2H3,(H,28,29)(H,30,31)/t17-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CEQIFVNZZJWOTJ-KRWDZBQOSA-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