General Information of the Compound
| Compound ID |
CP0103782
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(7-(4-(4-(trifluoromethyl)benzyloxy)benzylthio)-5-methyl-2,3-dihydro-1H-inden-4-yloxy)acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H25F3O4S
|
||||||||||||||||||
| Molecular Weight |
502.554
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(SCc2ccc(OCc3ccc(cc3)C(F)(F)F)cc2)c2CCCc2c1OCC(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H25F3O4S/c1-17-13-24(22-3-2-4-23(22)26(17)34-15-25(31)32)35-16-19-7-11-21(12-8-19)33-14-18-5-9-20(10-6-18)27(28,29)30/h5-13H,2-4,14-16H2,1H3,(H,31,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RWRTYMGJKGDYLQ-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