General Information of the Compound
| Compound ID |
CP0514768
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[4-[(3-Cyanophenoxy)methyl]-2-({[1-(4-fluoro-3-methylphenyl)-3-methylbutyl]amino}carbonyl)phenyl]propanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H31FN2O4
|
||||||||||||||||||
| Molecular Weight |
502.586
|
||||||||||||||||||
| Canonical SMILES |
CC(C)CC(NC(=O)c1cc(COc2cccc(c2)C#N)ccc1CCC(O)=O)c1ccc(F)c(C)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H31FN2O4/c1-19(2)13-28(24-9-11-27(31)20(3)14-24)33-30(36)26-16-22(7-8-23(26)10-12-29(34)35)18-37-25-6-4-5-21(15-25)17-32/h4-9,11,14-16,19,28H,10,12-13,18H2,1-3H3,(H,33,36)(H,34,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
AQFQEYKSALVFDX-UHFFFAOYSA-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