General Information of the Compound
| Compound ID |
CP0532367
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2R,3R,4S,5S,6R)-2-[4-chloro-3-[(4-cyclopropylphenyl)methyl]indol-1-yl]-6-[(4-ethoxytriazol-1-yl)methyl]oxane-3,4,5-triol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H31ClN4O5
|
||||||||||||||||||
| Molecular Weight |
539.032
|
||||||||||||||||||
| Canonical SMILES |
CCOc1cn(C[C@H]2O[C@H]([C@H](O)[C@@H](O)[C@@H]2O)n2cc(Cc3ccc(cc3)C3CC3)c3c(Cl)cccc23)nn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H31ClN4O5/c1-2-37-23-15-32(31-30-23)14-22-25(34)26(35)27(36)28(38-22)33-13-19(24-20(29)4-3-5-21(24)33)12-16-6-8-17(9-7-16)18-10-11-18/h3-9,13,15,18,22,25-28,34-36H,2,10-12,14H2,1H3/t22-,25-,26+,27-,28-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DJJUHVRVPQRWGI-FSKOWZIRSA-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