General Information of the Compound
Compound ID
CP0272724
Compound Name
N'-(4-chloro-2-ethoxyphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
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Structure
Formula
C19H28ClN3O3
Molecular Weight
381.904
Canonical SMILES
CCOc1cc(Cl)ccc1NC(=O)C(=O)NC1CC(C)(C)NC(C)(C)C1
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InChI
InChI=1S/C19H28ClN3O3/c1-6-26-15-9-12(20)7-8-14(15)22-17(25)16(24)21-13-10-18(2,3)23-19(4,5)11-13/h7-9,13,23H,6,10-11H2,1-5H3,(H,21,24)(H,22,25)
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InChIKey
AYIKSNRVADTZFN-UHFFFAOYSA-N
Physicochemical Property
logP
3.1026
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
79.46
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
26

"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: 53321738
ChEMBL ID
CHEMBL1645276
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: PT02841, Envelope glycoprotein gp160
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000442 Cf2Th-CCR5 Canis lupus familiaris (Dog)  1
1
IC50 > 100000 nM
   TI
   LI
   LO
   TS