General Information of the Compound
| Compound ID |
CP0941704
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S,3R,4R,5S,6R)-2-(4-chloro-3-(4-((methyl(7-nitrobenzo[c][1,2,5]oxadiazol-4-yl)amino)methyl)benzyl)phenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H27ClN4O8
|
||||||||||||||||||
| Molecular Weight |
570.986
|
||||||||||||||||||
| Canonical SMILES |
CN(Cc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1)c1ccc([N+](=O)[O-])c2nonc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H27ClN4O8/c1-31(19-8-9-20(32(37)38)23-22(19)29-40-30-23)12-15-4-2-14(3-5-15)10-17-11-16(6-7-18(17)28)27-26(36)25(35)24(34)21(13-33)39-27/h2-9,11,21,24-27,33-36H,10,12-13H2,1H3/t21-,24-,25+,26-,27+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FZOKKEBESXRZHP-TVMVJRKWSA-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