General Information of the Compound
| Compound ID |
CP0952861
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-2-((2-(2-fluoro-4-methoxyphenyl)-2-hydroxy-N-(3-phenylpropyl)acetamido)methyl)-5-methyl-N-(methylsulfonyl)thiazole-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H28FN3O6S2
|
||||||||||||||||||
| Molecular Weight |
549.646
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc([C@@H](O)C(=O)N(CCCc2ccccc2)Cc2nc(C(=O)NS(C)(=O)=O)c(C)s2)c(F)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H28FN3O6S2/c1-16-22(24(31)28-37(3,33)34)27-21(36-16)15-29(13-7-10-17-8-5-4-6-9-17)25(32)23(30)19-12-11-18(35-2)14-20(19)26/h4-6,8-9,11-12,14,23,30H,7,10,13,15H2,1-3H3,(H,28,31)/t23-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
SZZZOPPCCGSYDP-HSZRJFAPSA-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