General Information of the Compound
| Compound ID |
CP0574607
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
diethyl (2R)-2-[[(2S)-2-[[2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]pentanedioate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H35N3O9
|
||||||||||||||||||
| Molecular Weight |
533.578
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)CC[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)\C=C\c1ccc2OCOc2c1)C(C)C)C(=O)OCC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H35N3O9/c1-5-35-23(32)12-9-18(26(34)36-6-2)28-25(33)24(16(3)4)29-22(31)14-27-21(30)11-8-17-7-10-19-20(13-17)38-15-37-19/h7-8,10-11,13,16,18,24H,5-6,9,12,14-15H2,1-4H3,(H,27,30)(H,28,33)(H,29,31)/b11-8+/t18-,24+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KPGGBEUKNGZFNM-UFHZIQQQSA-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 | |||||||||||||||||||
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