General Information of the Compound
| Compound ID |
CP0452175
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-6-[2-[[[4-(furan-2-yl)benzoyl]-methylamino]methyl]-4-methylphenoxy]-4-methylhex-4-enoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H29NO5
|
||||||||||||||||||
| Molecular Weight |
447.531
|
||||||||||||||||||
| Canonical SMILES |
CN(Cc1cc(C)ccc1OC\C=C(/C)CCC(O)=O)C(=O)c1ccc(cc1)-c1ccco1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H29NO5/c1-19(7-13-26(29)30)14-16-33-25-12-6-20(2)17-23(25)18-28(3)27(31)22-10-8-21(9-11-22)24-5-4-15-32-24/h4-6,8-12,14-15,17H,7,13,16,18H2,1-3H3,(H,29,30)/b19-14+
Show/Hide
|
||||||||||||||||||
| InChIKey |
VHKFJHYXTAKRPY-XMHGGMMESA-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