General Information of the Compound
| Compound ID |
CP0514108
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3R)-3-[5-[[3-(2,2-dimethylcyclopentyl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]-2-fluorophenyl]pentanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H36F2O4
|
||||||||||||||||||
| Molecular Weight |
522.632
|
||||||||||||||||||
| Canonical SMILES |
CC[C@H](CC(O)=O)c1cc(OCc2ccc(c(c2)C2CCCC2(C)C)-c2cc(OC)ccc2F)ccc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H36F2O4/c1-5-21(16-31(35)36)25-18-23(10-13-29(25)33)38-19-20-8-11-24(27-17-22(37-4)9-12-30(27)34)26(15-20)28-7-6-14-32(28,2)3/h8-13,15,17-18,21,28H,5-7,14,16,19H2,1-4H3,(H,35,36)/t21-,28?/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VXABCPYVVLIIGI-IHKRANBOSA-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