General Information of the Compound
| Compound ID |
CP0451744
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3S)-3-[2-[3-cyano-4-(2-fluoro-5-methoxyphenyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]-3-cyclopropylpropanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H26FNO4
|
||||||||||||||||||
| Molecular Weight |
471.528
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(F)c(c1)-c1ccc(cc1C#N)C1CCc2ccc(cc2O1)[C@@H](CC(O)=O)C1CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H26FNO4/c1-34-22-8-10-26(30)25(14-22)23-9-6-20(12-21(23)16-31)27-11-7-18-4-5-19(13-28(18)35-27)24(15-29(32)33)17-2-3-17/h4-6,8-10,12-14,17,24,27H,2-3,7,11,15H2,1H3,(H,32,33)/t24-,27?/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BYHQPDRYAMAQDJ-BXXZMZEQSA-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