General Information of the Compound
Compound ID
CP0417857
Compound Name
3-methoxy-N-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]benzamide
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Structure
Formula
C18H20N2O3
Molecular Weight
312.369
Canonical SMILES
COc1cccc(c1)C(=O)NCC(=O)N[C@H](C)c1ccccc1
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InChI
InChI=1S/C18H20N2O3/c1-13(14-7-4-3-5-8-14)20-17(21)12-19-18(22)15-9-6-10-16(11-15)23-2/h3-11,13H,12H2,1-2H3,(H,19,22)(H,20,21)/t13-/m1/s1
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InChIKey
ASAANGCWEOJNQY-CYBMUJFWSA-N
Physicochemical Property
logP
2.3024
Rotatable Bonds
6
Heavy Atom Count
23
Polar Areas
67.43
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
23

"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: 28918448
ChEMBL ID
CHEMBL3633895
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: PT06277, Probable G-protein coupled receptor 139
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 1700 nM
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