General Information of the Compound
Compound ID
CP0957420
Compound Name
4-(2-Phenylethyl)-1H-indazol-3-yl beta-D-glucopyranoside
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Structure
Formula
C21H24N2O6
Molecular Weight
400.431
Canonical SMILES
OC[C@H]1O[C@@H](Oc2n[nH]c3cccc(CCc4ccccc4)c23)[C@H](O)[C@@H](O)[C@@H]1O
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InChI
InChI=1S/C21H24N2O6/c24-11-15-17(25)18(26)19(27)21(28-15)29-20-16-13(7-4-8-14(16)22-23-20)10-9-12-5-2-1-3-6-12/h1-8,15,17-19,21,24-27H,9-11H2,(H,22,23)/t15-,17-,18+,19-,21+/m1/s1
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InChIKey
BYFXJMLEXODECX-UVPIGPOJSA-N
Physicochemical Property
logP
0.5268
Rotatable Bonds
6
Heavy Atom Count
29
Polar Areas
128.06
Hydrogen Bond Donor Count
5
Hydrogen Bond Acceptor Count
7
Complexity
29

"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: 67342231
ChEMBL ID
CHEMBL4765036
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
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000053 COS-7 Chlorocebus aethiops (Green monkey)  1
1
IC50 = 150 nM
   TI
   LI
   LO
   TS
Protein ID: PT02415, Sodium/glucose cotransporter 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000053 COS-7 Chlorocebus aethiops (Green monkey)  1
1
IC50 = 86 nM
   TI
   LI
   LO
   TS