General Information of the Compound
| Compound ID |
CP0482872
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[2'-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-2-(2-fluoro-ethoxymethyl)-biphenyl-4-ylmethyl]-5-ethyl-2-propyl-3H-imidazole-4-carboxylic acid amide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H36FN5O5S
|
||||||||||||||||||
| Molecular Weight |
597.713
|
||||||||||||||||||
| Canonical SMILES |
CCCc1nc(CC)c(C(N)=O)n1Cc1ccc(c(COCCF)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H36FN5O5S/c1-5-9-27-33-25(6-2)28(29(32)37)36(27)17-21-12-13-23(22(16-21)18-40-15-14-31)24-10-7-8-11-26(24)42(38,39)35-30-19(3)20(4)34-41-30/h7-8,10-13,16,35H,5-6,9,14-15,17-18H2,1-4H3,(H2,32,37)
Show/Hide
|
||||||||||||||||||
| InChIKey |
POUZXGIFPZCULZ-UHFFFAOYSA-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