General Information of the Compound
| Compound ID |
CP0519351
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
diethyl (2R)-2-[[(2S)-2-[[2-[[(E)-3-(3,4-difluorophenyl)prop-2-enoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]pentanedioate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H33F2N3O7
|
||||||||||||||||||
| Molecular Weight |
525.549
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)CC[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)\C=C\c1ccc(F)c(F)c1)C(C)C)C(=O)OCC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H33F2N3O7/c1-5-36-22(33)12-10-19(25(35)37-6-2)29-24(34)23(15(3)4)30-21(32)14-28-20(31)11-8-16-7-9-17(26)18(27)13-16/h7-9,11,13,15,19,23H,5-6,10,12,14H2,1-4H3,(H,28,31)(H,29,34)(H,30,32)/b11-8+/t19-,23+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XLIDKJKAOQTRAU-CDDWAKIKSA-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