General Information of the Compound
| Compound ID |
CP0386085
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL3091670
Show/Hide
|
||||||||||||||||||
| Formula |
C20H24BrNO4S2
|
||||||||||||||||||
| Molecular Weight |
486.453
|
||||||||||||||||||
| Canonical SMILES |
[Br-].C[N+]1(C)[C@H]2C[C@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)C(CO)(c1cccs1)c1cccs1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H24NO4S2.BrH/c1-21(2)13-9-12(10-14(21)18-17(13)25-18)24-19(23)20(11-22,15-5-3-7-26-15)16-6-4-8-27-16;/h3-8,12-14,17-18,22H,9-11H2,1-2H3;1H/q+1;/p-1/t12-,13+,14-,17+,18-;
Show/Hide
|
||||||||||||||||||
| InChIKey |
SZWUZKLDNSNZQH-JZHUCNJQSA-M
|
||||||||||||||||||
| 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 | |||||||||||||||||||
| 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