General Information of the Compound
Compound ID
CP0446081
Compound Name
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(3-fluorophenyl)methyl]benzamide
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Structure
Formula
C22H19FN2O2
Molecular Weight
362.404
Canonical SMILES
NC(=O)[C@H](N(Cc1cccc(F)c1)C(=O)c1ccccc1)c1ccccc1
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InChI
InChI=1S/C22H19FN2O2/c23-19-13-7-8-16(14-19)15-25(22(27)18-11-5-2-6-12-18)20(21(24)26)17-9-3-1-4-10-17/h1-14,20H,15H2,(H2,24,26)/t20-/m1/s1
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InChIKey
LMCMLPSDKRXRRR-HXUWFJFHSA-N
Physicochemical Property
logP
3.6947
Rotatable Bonds
6
Heavy Atom Count
27
Polar Areas
63.4
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
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: 118246886
ChEMBL ID
CHEMBL3927831
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 = 8100 nM
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