General Information of the Compound
Compound ID
CP0518445
Compound Name
4-Chloro-3-(4-fluorobenzyl)-1-(beta-D-xylopyranosyl)-1H-indole
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Structure
Formula
C20H19ClFNO4
Molecular Weight
391.826
Canonical SMILES
O[C@@H]1CO[C@H]([C@H](O)[C@H]1O)n1cc(Cc2ccc(F)cc2)c2c(Cl)cccc12
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InChI
InChI=1S/C20H19ClFNO4/c21-14-2-1-3-15-17(14)12(8-11-4-6-13(22)7-5-11)9-23(15)20-19(26)18(25)16(24)10-27-20/h1-7,9,16,18-20,24-26H,8,10H2/t16-,18+,19-,20-/m1/s1
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InChIKey
QPMYOINRLFFLLW-GSEOLPGOSA-N
Physicochemical Property
logP
2.6361
Rotatable Bonds
3
Heavy Atom Count
27
Polar Areas
74.85
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Complexity
27

"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).

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PubChem ID
CID: 50993628
SID: 117639685
ChEMBL ID
CHEMBL1650489
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: PT02415, Sodium/glucose cotransporter 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 1376 nM
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