General Information of the Compound
| Compound ID |
CP0889187
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
SID131444802
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H31FN2O6S
|
||||||||||||||||||
| Molecular Weight |
602.684
|
||||||||||||||||||
| Canonical SMILES |
O=C(C[C@@H]1C[C@H]2c3cc(NS(=O)(=O)c4ccc(F)cc4)ccc3O[C@H]2[C@H](CO)O1)NCc1ccc(-c2ccccc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H31FN2O6S/c34-24-10-13-27(14-11-24)43(39,40)36-25-12-15-30-28(16-25)29-17-26(41-31(20-37)33(29)42-30)18-32(38)35-19-21-6-8-23(9-7-21)22-4-2-1-3-5-22/h1-16,26,29,31,33,36-37H,17-20H2,(H,35,38)/t26-,29-,31-,33+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GJUZXHBLRFQGNS-MDCLPFIVSA-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