General Information of the Compound
Compound ID
CP0558181
Compound Name
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(3-methoxyphenyl)methyl]benzamide
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Structure
Formula
C23H22N2O3
Molecular Weight
374.44
Canonical SMILES
COc1cccc(CN([C@@H](C(N)=O)c2ccccc2)C(=O)c2ccccc2)c1
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InChI
InChI=1S/C23H22N2O3/c1-28-20-14-8-9-17(15-20)16-25(23(27)19-12-6-3-7-13-19)21(22(24)26)18-10-4-2-5-11-18/h2-15,21H,16H2,1H3,(H2,24,26)/t21-/m1/s1
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InChIKey
NACPFAKKSBPVRT-OAQYLSRUSA-N
Physicochemical Property
logP
3.5642
Rotatable Bonds
7
Heavy Atom Count
28
Polar Areas
72.63
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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: 91824785
ChEMBL ID
CHEMBL3934736
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 = 900 nM
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