General Information of the Compound
| Compound ID |
CP0575012
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
diethyl (2R)-2-[[(2S)-3-methyl-2-[[2-[[(E)-3-(3-phenoxyphenyl)prop-2-enoyl]amino]acetyl]amino]butanoyl]amino]pentanedioate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H39N3O8
|
||||||||||||||||||
| Molecular Weight |
581.666
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)CC[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)\C=C\c1cccc(Oc2ccccc2)c1)C(C)C)C(=O)OCC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H39N3O8/c1-5-40-28(37)18-16-25(31(39)41-6-2)33-30(38)29(21(3)4)34-27(36)20-32-26(35)17-15-22-11-10-14-24(19-22)42-23-12-8-7-9-13-23/h7-15,17,19,21,25,29H,5-6,16,18,20H2,1-4H3,(H,32,35)(H,33,38)(H,34,36)/b17-15+/t25-,29+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HUXWOEWIHRYUOT-QEALHERHSA-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