General Information of the Compound
Compound ID
CP0480108
Compound Name
3-methoxy-N-[2-[2-(3-methoxyphenyl)ethyl]phenyl]benzamide
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Structure
Formula
C23H23NO3
Molecular Weight
361.441
Canonical SMILES
COc1cccc(CCc2ccccc2NC(=O)c2cccc(OC)c2)c1
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InChI
InChI=1S/C23H23NO3/c1-26-20-10-5-7-17(15-20)13-14-18-8-3-4-12-22(18)24-23(25)19-9-6-11-21(16-19)27-2/h3-12,15-16H,13-14H2,1-2H3,(H,24,25)
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InChIKey
ZOGZXXJSBZFYQR-UHFFFAOYSA-N
Physicochemical Property
logP
4.7413
Rotatable Bonds
7
Heavy Atom Count
27
Polar Areas
47.56
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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: 90655461
ChEMBL ID
CHEMBL3237961
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: PT01546, ATP-dependent translocase ABCB1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000031 MDCK Canis lupus familiaris (Dog)  1
1
EC50 = 10900 nM
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