General Information of the Compound
Compound ID
CP0390437
Compound Name
3,5-dichloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide
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Structure
Formula
C17H16Cl2N2O2
Molecular Weight
351.233
Canonical SMILES
C[C@H](NC(=O)CNC(=O)c1cc(Cl)cc(Cl)c1)c1ccccc1
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InChI
InChI=1S/C17H16Cl2N2O2/c1-11(12-5-3-2-4-6-12)21-16(22)10-20-17(23)13-7-14(18)9-15(19)8-13/h2-9,11H,10H2,1H3,(H,20,23)(H,21,22)/t11-/m0/s1
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InChIKey
WWNVOJGEQVAHCU-NSHDSACASA-N
Physicochemical Property
logP
3.6006
Rotatable Bonds
5
Heavy Atom Count
23
Polar Areas
58.2
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
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: 122195643
ChEMBL ID
CHEMBL3633887
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 = 46 nM
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