General Information of the Compound
Compound ID
CP0397650
Compound Name
(2S,3R,4R,5S,6R)-2-[3-(azulen-2-ylmethyl)phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
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Structure
Formula
C23H24O5
Molecular Weight
380.44
Canonical SMILES
OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1cccc(Cc2cc3cccccc3c2)c1
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InChI
InChI=1S/C23H24O5/c24-13-19-20(25)21(26)22(27)23(28-19)18-8-4-5-14(10-18)9-15-11-16-6-2-1-3-7-17(16)12-15/h1-8,10-12,19-27H,9,13H2/t19-,20-,21+,22-,23+/m1/s1
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InChIKey
ZZEANMDBFVJFJU-ZQGJOIPISA-N
Physicochemical Property
logP
1.8971
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
90.15
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
5
Complexity
28

"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: 9886174
SID: 14853567
ChEMBL ID
CHEMBL2397442
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
IC50 = 22 nM
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