General Information of the Compound
| Compound ID |
CP0575927
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
dicyclopentyl (2R)-2-[[(2S)-3-methyl-2-[[2-[[(E)-3-(3-phenoxyphenyl)prop-2-enoyl]amino]acetyl]amino]butanoyl]amino]pentanedioate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C37H47N3O8
|
||||||||||||||||||
| Molecular Weight |
661.796
|
||||||||||||||||||
| Canonical SMILES |
CC(C)[C@H](NC(=O)CNC(=O)\C=C\c1cccc(Oc2ccccc2)c1)C(=O)N[C@H](CCC(=O)OC1CCCC1)C(=O)OC1CCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C37H47N3O8/c1-25(2)35(36(44)39-31(37(45)48-29-16-8-9-17-29)20-22-34(43)47-28-14-6-7-15-28)40-33(42)24-38-32(41)21-19-26-11-10-18-30(23-26)46-27-12-4-3-5-13-27/h3-5,10-13,18-19,21,23,25,28-29,31,35H,6-9,14-17,20,22,24H2,1-2H3,(H,38,41)(H,39,44)(H,40,42)/b21-19+/t31-,35+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VIIQKLSWPSBHRZ-QFDQERAOSA-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