General Information of the Compound
| Compound ID |
CP0722969
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-3-(4-Benzyloxy-phenyl)-2-((Z)-1-methyl-3-oxo-3-phenyl-propenylamino)-propionic acid methyl ester
Show/Hide
|
||||||||||||||||||
| Formula |
C27H27NO4
|
||||||||||||||||||
| Molecular Weight |
429.516
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)/N=C(C)/C=C(\O)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H27NO4/c1-20(17-26(29)23-11-7-4-8-12-23)28-25(27(30)31-2)18-21-13-15-24(16-14-21)32-19-22-9-5-3-6-10-22/h3-17,25,29H,18-19H2,1-2H3/b26-17-,28-20+/t25-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
IGPDZIOVBHZZNO-QDWOTNPQSA-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 | |||||||||||||||||||
| 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