General Information of the Compound
| Compound ID |
CP0472413
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8980829, 18
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H32ClNO7
|
||||||||||||||||||
| Molecular Weight |
505.995
|
||||||||||||||||||
| Canonical SMILES |
OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2ccc(OCC3CN(C3)C3COC3)cc2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H32ClNO7/c27-21-6-3-17(26-25(32)24(31)23(30)22(11-29)35-26)8-18(21)7-15-1-4-20(5-2-15)34-12-16-9-28(10-16)19-13-33-14-19/h1-6,8,16,19,22-26,29-32H,7,9-14H2/t22-,23-,24+,25-,26+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CTBKTGMPGONTDS-RTJMFUJLSA-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