General Information of the Compound
| Compound ID |
CP0469486
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[(1R)-6-[[4-(5-fluoro-2-methoxypyridin-4-yl)-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]-1-methyl-2,3-dihydroinden-1-yl]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H36FNO5
|
||||||||||||||||||
| Molecular Weight |
521.629
|
||||||||||||||||||
| Canonical SMILES |
CO[C@@H](c1cc(COc2ccc3CC[C@](C)(CC(O)=O)c3c2)ccc1-c1cc(OC)ncc1F)C(C)(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H36FNO5/c1-30(2,3)29(37-6)24-13-19(7-10-22(24)23-15-27(36-5)33-17-26(23)32)18-38-21-9-8-20-11-12-31(4,16-28(34)35)25(20)14-21/h7-10,13-15,17,29H,11-12,16,18H2,1-6H3,(H,34,35)/t29-,31+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GQSWMVKSEBWUCW-IGYGKHONSA-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