General Information of the Compound
| Compound ID |
CP0050853
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[(1S)-5-{3-[4-(4-ethyl-1,3-thiazol-2-yl)-2-propylphenoxy]propoxy}-2,3-dihydro-1H-inden-1-yl]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H33NO4S
|
||||||||||||||||||
| Molecular Weight |
479.642
|
||||||||||||||||||
| Canonical SMILES |
CCCc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nc(CC)cs1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H33NO4S/c1-3-6-21-15-22(28-29-23(4-2)18-34-28)9-12-26(21)33-14-5-13-32-24-10-11-25-19(16-24)7-8-20(25)17-27(30)31/h9-12,15-16,18,20H,3-8,13-14,17H2,1-2H3,(H,30,31)/t20-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WCDXSIMIKBDXKI-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