General Information of the Compound
Compound ID
CP0517441
Compound Name
N-[(3-methoxyphenyl)methyl]-N-[(1R)-2-(methylamino)-2-oxo-1-phenylethyl]benzamide
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Structure
Formula
C24H24N2O3
Molecular Weight
388.467
Canonical SMILES
CNC(=O)[C@H](N(Cc1cccc(OC)c1)C(=O)c1ccccc1)c1ccccc1
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InChI
InChI=1S/C24H24N2O3/c1-25-23(27)22(19-11-5-3-6-12-19)26(24(28)20-13-7-4-8-14-20)17-18-10-9-15-21(16-18)29-2/h3-16,22H,17H2,1-2H3,(H,25,27)/t22-/m1/s1
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InChIKey
SZGYJWHXTQSKSQ-JOCHJYFZSA-N
Physicochemical Property
logP
3.8249
Rotatable Bonds
7
Heavy Atom Count
29
Polar Areas
58.64
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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: 134154112
ChEMBL ID
CHEMBL3972562
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: PT03065, Transient receptor potential cation channel subfamily M member 8
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 10000 nM
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