General Information of the Compound
| Compound ID |
CP0575853
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
diethyl (2R)-2-[[(2S)-2-[[2-[[(E)-3-(3-bromophenyl)prop-2-enoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]pentanedioate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H34BrN3O7
|
||||||||||||||||||
| Molecular Weight |
568.465
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)CC[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)\C=C\c1cccc(Br)c1)C(C)C)C(=O)OCC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H34BrN3O7/c1-5-35-22(32)13-11-19(25(34)36-6-2)28-24(33)23(16(3)4)29-21(31)15-27-20(30)12-10-17-8-7-9-18(26)14-17/h7-10,12,14,16,19,23H,5-6,11,13,15H2,1-4H3,(H,27,30)(H,28,33)(H,29,31)/b12-10+/t19-,23+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CSMOGDAZBSQCHI-XSIWJGCBSA-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