General Information of the Compound
Compound ID
CP0511314
Compound Name
(2S,3R,4R,5S,6R)-2-Biphenyl-3-yl-6-hydroxymethyl-tetrahydro-pyran-3,4,5-triol
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Structure
Formula
C18H20O5
Molecular Weight
316.353
Canonical SMILES
OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1cccc(c1)-c1ccccc1
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InChI
InChI=1S/C18H20O5/c19-10-14-15(20)16(21)17(22)18(23-14)13-8-4-7-12(9-13)11-5-2-1-3-6-11/h1-9,14-22H,10H2/t14-,15-,16+,17-,18+/m1/s1
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InChIKey
UQBOAFNWHZLIFA-SFFUCWETSA-N
Physicochemical Property
logP
0.8685
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
90.15
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
5
Complexity
23

"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: 9839914
SID: 14801222
ChEMBL ID
CHEMBL486837
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 = 623 nM
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