General Information of the Compound
| Compound ID |
CP0536755
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S,3R)-3-cyclopropyl-3-[3-[[(1R)-4-fluoro-5-(2-fluoro-5-methoxyphenyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-2-methylpropanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H28F2O4
|
||||||||||||||||||
| Molecular Weight |
478.535
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(F)c(c1)-c1ccc2[C@@H](CCc2c1F)Oc1cccc(c1)[C@@H]([C@H](C)C(O)=O)C1CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H28F2O4/c1-16(29(32)33)27(17-6-7-17)18-4-3-5-20(14-18)35-26-13-11-22-21(26)9-10-23(28(22)31)24-15-19(34-2)8-12-25(24)30/h3-5,8-10,12,14-17,26-27H,6-7,11,13H2,1-2H3,(H,32,33)/t16-,26+,27-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PXPSGIAUKBQQGA-GENHPLMOSA-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