General Information of the Compound
| Compound ID |
CP0380401
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL3622354
Show/Hide
|
||||||||||||||||||
| Formula |
C26H34N3O8PS
|
||||||||||||||||||
| Molecular Weight |
579.612
|
||||||||||||||||||
| Canonical SMILES |
CCOP(=O)(NC(=O)O[C@H]1CC[C@@](CNC2=NS(=O)(=O)c3cccc(OC)c23)(CC1)c1ccccc1)OCC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H34N3O8PS/c1-4-35-38(31,36-5-2)28-25(30)37-20-14-16-26(17-15-20,19-10-7-6-8-11-19)18-27-24-23-21(34-3)12-9-13-22(23)39(32,33)29-24/h6-13,20H,4-5,14-18H2,1-3H3,(H,27,29)(H,28,30,31)/t20-,26-
Show/Hide
|
||||||||||||||||||
| InChIKey |
DLGCUEFHIVRLFA-AEEMYVKYSA-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 | |||||||||||||||||||
| 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