General Information of the Compound
| Compound ID |
CP0396100
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
diethyl (2R)-2-[[(2S)-2-[[2-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino]acetyl]amino]propanoyl]amino]pentanedioate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H33N3O9
|
||||||||||||||||||
| Molecular Weight |
507.54
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)\C=C\c1ccc(O)c(OC)c1)C(=O)OCC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H33N3O9/c1-5-35-22(31)12-9-17(24(33)36-6-2)27-23(32)15(3)26-21(30)14-25-20(29)11-8-16-7-10-18(28)19(13-16)34-4/h7-8,10-11,13,15,17,28H,5-6,9,12,14H2,1-4H3,(H,25,29)(H,26,30)(H,27,32)/b11-8+/t15-,17+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HMPWDFBAVVUNDG-QTVNVXQXSA-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