General Information of the Compound
| Compound ID |
CP0966333
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
SID131444678
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H30N2O6S
|
||||||||||||||||||
| Molecular Weight |
522.623
|
||||||||||||||||||
| Canonical SMILES |
CS(=O)(=O)Nc1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)NCc3ccc(-c4ccccc4)cc3)O[C@@H](CO)[C@@H]1O2
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H30N2O6S/c1-37(33,34)30-21-11-12-25-23(13-21)24-14-22(35-26(17-31)28(24)36-25)15-27(32)29-16-18-7-9-20(10-8-18)19-5-3-2-4-6-19/h2-13,22,24,26,28,30-31H,14-17H2,1H3,(H,29,32)/t22-,24-,26-,28+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PIXFALWRGUDBBL-AJWNWGNMSA-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