General Information of the Compound
| Compound ID |
CP0471156
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2'-Fluoro-4'-(8-oxo-2-propyl-5,6,7,8-tetrahydro-4H-cycloheptaimidazol-1-ylmethyl)-biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H31FN4O4S
|
||||||||||||||||||
| Molecular Weight |
550.656
|
||||||||||||||||||
| Canonical SMILES |
CCCc1nc2CCCCC(=O)c2n1Cc1ccc(c(F)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H31FN4O4S/c1-4-9-27-31-24-11-6-7-12-25(35)28(24)34(27)17-20-14-15-21(23(30)16-20)22-10-5-8-13-26(22)39(36,37)33-29-18(2)19(3)32-38-29/h5,8,10,13-16,33H,4,6-7,9,11-12,17H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
WJGSUHRNYRVLRY-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