General Information of the Compound
Compound ID
CP0516624
Compound Name
(2R)-2-[(3-methoxyphenyl)methyl-(2-phenylacetyl)amino]-2-phenylacetamide
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Structure
Formula
C24H24N2O3
Molecular Weight
388.467
Canonical SMILES
COc1cccc(CN([C@@H](C(N)=O)c2ccccc2)C(=O)Cc2ccccc2)c1
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InChI
InChI=1S/C24H24N2O3/c1-29-21-14-8-11-19(15-21)17-26(22(27)16-18-9-4-2-5-10-18)23(24(25)28)20-12-6-3-7-13-20/h2-15,23H,16-17H2,1H3,(H2,25,28)/t23-/m1/s1
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InChIKey
VXYXSUISAPZQBL-HSZRJFAPSA-N
Physicochemical Property
logP
3.4931
Rotatable Bonds
8
Heavy Atom Count
29
Polar Areas
72.63
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: 118246884
ChEMBL ID
CHEMBL3981569
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 = 19000 nM
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