General Information of the Compound
Compound ID
CP0414611
Compound Name
N-[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl]-N-[(3-methoxyphenyl)methyl]benzamide
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Structure
Formula
C25H26N2O3
Molecular Weight
402.494
Canonical SMILES
COc1cccc(CN([C@@H](C(=O)N(C)C)c2ccccc2)C(=O)c2ccccc2)c1
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InChI
InChI=1S/C25H26N2O3/c1-26(2)25(29)23(20-12-6-4-7-13-20)27(24(28)21-14-8-5-9-15-21)18-19-11-10-16-22(17-19)30-3/h4-17,23H,18H2,1-3H3/t23-/m1/s1
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InChIKey
AXAIDJIYUCMBCF-HSZRJFAPSA-N
Physicochemical Property
logP
4.1671
Rotatable Bonds
7
Heavy Atom Count
30
Polar Areas
49.85
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
30

"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: 134133658
ChEMBL ID
CHEMBL3901461
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 = 86000 nM
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