General Information of the Compound
Compound ID
CP0486692
Compound Name
2-(3-benzyl-2-imino-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-1-(4-methoxyphenyl)ethanol
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Structure
Formula
C23H23N3O2
Molecular Weight
373.456
Canonical SMILES
COc1ccc(cc1)C(O)Cn1c2ccccc2n(Cc2ccccc2)c1=N
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InChI
InChI=1S/C23H23N3O2/c1-28-19-13-11-18(12-14-19)22(27)16-26-21-10-6-5-9-20(21)25(23(26)24)15-17-7-3-2-4-8-17/h2-14,22,24,27H,15-16H2,1H3
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InChIKey
DQPOOMSMHTYJMJ-UHFFFAOYSA-N
Physicochemical Property
logP
3.71277
Rotatable Bonds
6
Heavy Atom Count
28
Polar Areas
63.17
Hydrogen Bond Donor Count
2
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: 2868397
ChEMBL ID
CHEMBL1782546
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
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
EC50 = 16200 nM
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