General Information of the Compound
| Compound ID |
CP0430949
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-N-(4-Chloro-phenyl)-2-[2-hydroxy-2-((R)-4-hydroxy-3-methanesulfonylamino-phenyl)-ethylamino]-2-(4-methoxy-phenyl)-acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H26ClN3O6S
|
||||||||||||||||||
| Molecular Weight |
520.007
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)[C@H](NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(=O)Nc1ccc(Cl)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H26ClN3O6S/c1-34-19-10-3-15(4-11-19)23(24(31)27-18-8-6-17(25)7-9-18)26-14-22(30)16-5-12-21(29)20(13-16)28-35(2,32)33/h3-13,22-23,26,28-30H,14H2,1-2H3,(H,27,31)/t22-,23-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DTIGTHXBZCFSQT-GOTSBHOMSA-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