General Information of the Compound
| Compound ID |
CP0523408
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-Chloro-3-[4-(N,N-dimethylamino)benzyl]-1-(beta-D-xylopyranosyl)-1H-indole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H25ClN2O4
|
||||||||||||||||||
| Molecular Weight |
416.905
|
||||||||||||||||||
| Canonical SMILES |
CN(C)c1ccc(Cc2cn([C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)c3cccc(Cl)c23)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H25ClN2O4/c1-24(2)15-8-6-13(7-9-15)10-14-11-25(17-5-3-4-16(23)19(14)17)22-21(28)20(27)18(26)12-29-22/h3-9,11,18,20-22,26-28H,10,12H2,1-2H3/t18-,20+,21-,22-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NRGIVIQFEJCODW-FVTFTPSCSA-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
Protein ID: PT03804, Sodium/glucose cotransporter 1
Protein ID: PT02415, Sodium/glucose cotransporter 2