General Information of the Compound
| Compound ID |
CP0516073
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-2-[2-Hydroxy-2-((R)-4-hydroxy-3-methanesulfonylamino-phenyl)-ethylamino]-2-(4-methoxy-phenyl)-N-(3-phenoxy-phenyl)-propionamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H33N3O7S
|
||||||||||||||||||
| Molecular Weight |
591.686
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)[C@](C)(NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(=O)Nc1cccc(Oc2ccccc2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H33N3O7S/c1-31(22-13-15-24(40-2)16-14-22,32-20-29(36)21-12-17-28(35)27(18-21)34-42(3,38)39)30(37)33-23-8-7-11-26(19-23)41-25-9-5-4-6-10-25/h4-19,29,32,34-36H,20H2,1-3H3,(H,33,37)/t29-,31-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GCSXRBNJMWEMSV-SMCANUKXSA-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 | |||||||||||||||||||
| ChEMBL 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