General Information of the Compound
| Compound ID |
CP0528096
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-hydroxy-5-[3-[4-[[(2R,3R,4S,5R,6S)-3,4,5-tribenzoyloxy-6-methoxyoxan-2-yl]methoxymethyl]triazol-1-yl]propoxy]benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C41H39N3O13
|
||||||||||||||||||
| Molecular Weight |
781.771
|
||||||||||||||||||
| Canonical SMILES |
CO[C@H]1O[C@H](COCc2cn(CCCOc3cc(O)cc(c3)C(O)=O)nn2)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C41H39N3O13/c1-51-41-36(57-40(50)28-16-9-4-10-17-28)35(56-39(49)27-14-7-3-8-15-27)34(55-38(48)26-12-5-2-6-13-26)33(54-41)25-52-24-30-23-44(43-42-30)18-11-19-53-32-21-29(37(46)47)20-31(45)22-32/h2-10,12-17,20-23,33-36,41,45H,11,18-19,24-25H2,1H3,(H,46,47)/t33-,34-,35+,36-,41+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JUNGAHWUVSMIMA-WIESDFACSA-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