General Information of the Compound
Compound ID |
CP0544352
|
||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Compound Name |
diethyl (2R)-2-[[(2S)-2-[[2-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino]acetyl]amino]-3-phenylmethoxypropanoyl]amino]pentanedioate
Show/Hide
|
||||||||||||||||||
Structure |
|
||||||||||||||||||
Formula |
C31H39N3O10
|
||||||||||||||||||
Molecular Weight |
613.664
|
||||||||||||||||||
Canonical SMILES |
CCOC(=O)CC[C@@H](NC(=O)[C@H](COCc1ccccc1)NC(=O)CNC(=O)\C=C\c1ccc(O)c(OC)c1)C(=O)OCC
Show/Hide
|
||||||||||||||||||
InChI |
InChI=1S/C31H39N3O10/c1-4-43-29(38)16-13-23(31(40)44-5-2)34-30(39)24(20-42-19-22-9-7-6-8-10-22)33-28(37)18-32-27(36)15-12-21-11-14-25(35)26(17-21)41-3/h6-12,14-15,17,23-24,35H,4-5,13,16,18-20H2,1-3H3,(H,32,36)(H,33,37)(H,34,39)/b15-12+/t23-,24+/m1/s1
Show/Hide
|
||||||||||||||||||
InChIKey |
ZAELSVPRARJZTC-GGBAQWBSSA-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