General Information of the Compound
| Compound ID |
CP0396858
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[(1R)-6-[[3-[(1R)-2,2-dimethylcyclopentyl]-4-(5-fluoro-2-methoxypyridin-4-yl)phenyl]methoxy]-1-methyl-2,3-dihydroinden-1-yl]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H36FNO4
|
||||||||||||||||||
| Molecular Weight |
517.641
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(c(F)cn1)-c1ccc(COc2ccc3CC[C@](C)(CC(O)=O)c3c2)cc1[C@@H]1CCCC1(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H36FNO4/c1-31(2)12-5-6-26(31)24-14-20(7-10-23(24)25-16-29(37-4)34-18-28(25)33)19-38-22-9-8-21-11-13-32(3,17-30(35)36)27(21)15-22/h7-10,14-16,18,26H,5-6,11-13,17,19H2,1-4H3,(H,35,36)/t26-,32+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PCSBJXFXNFHEQS-XYFQYJLHSA-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