General Information of the Compound
| Compound ID |
CP0536983
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(E)-[(2R,3S,4R,5R,6S)-6-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-3,4,5-trihydroxyoxan-2-yl]methylideneamino]thiophene-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H27ClN2O6S
|
||||||||||||||||||
| Molecular Weight |
531.03
|
||||||||||||||||||
| Canonical SMILES |
CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](\C=N\NC(=O)c3ccsc3)[C@@H](O)[C@H](O)[C@H]2O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H27ClN2O6S/c1-2-34-19-6-3-15(4-7-19)11-18-12-16(5-8-20(18)27)25-24(32)23(31)22(30)21(35-25)13-28-29-26(33)17-9-10-36-14-17/h3-10,12-14,21-25,30-32H,2,11H2,1H3,(H,29,33)/b28-13+/t21-,22-,23+,24-,25+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
UJHHBFGSHSNAMF-DXRCATNGSA-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