General Information of the Compound
| Compound ID |
CP0455253
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3S)-3-[3-[[3-tert-butyl-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]phenyl]-3-cyclopropylpropanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H33FO4
|
||||||||||||||||||
| Molecular Weight |
476.588
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(F)c(c1)-c1ccc(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)cc1C(C)(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H33FO4/c1-30(2,3)27-14-19(8-12-24(27)26-16-22(34-4)11-13-28(26)31)18-35-23-7-5-6-21(15-23)25(17-29(32)33)20-9-10-20/h5-8,11-16,20,25H,9-10,17-18H2,1-4H3,(H,32,33)/t25-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YBEQAKFLMMFRMV-VWLOTQADSA-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