General Information of the Compound
| Compound ID |
CP0372757
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-N-(2-chloro-4-hydroxybenzyl)-N-ethyl-2-(3-(2-(2-hydroxy-2-(4-hydroxy-3-(methylsulfonamido)phenyl)ethylamino)-2-methylpropyl)phenyl)acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H38ClN3O6S
|
||||||||||||||||||
| Molecular Weight |
604.169
|
||||||||||||||||||
| Canonical SMILES |
CCN(Cc1ccc(O)cc1Cl)C(=O)Cc1cccc(CC(C)(C)NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H38ClN3O6S/c1-5-34(19-23-9-11-24(35)16-25(23)31)29(38)14-20-7-6-8-21(13-20)17-30(2,3)32-18-28(37)22-10-12-27(36)26(15-22)33-41(4,39)40/h6-13,15-16,28,32-33,35-37H,5,14,17-19H2,1-4H3/t28-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CLUFTXJUPWPJGK-NDEPHWFRSA-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