General Information of the Compound
Compound ID
CP0296372
Compound Name
N'-[4-chloro-2-(2-methylpropoxy)phenyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
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Structure
Formula
C21H32ClN3O3
Molecular Weight
409.958
Canonical SMILES
CC(C)COc1cc(Cl)ccc1NC(=O)C(=O)NC1CC(C)(C)NC(C)(C)C1
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InChI
InChI=1S/C21H32ClN3O3/c1-13(2)12-28-17-9-14(22)7-8-16(17)24-19(27)18(26)23-15-10-20(3,4)25-21(5,6)11-15/h7-9,13,15,25H,10-12H2,1-6H3,(H,23,26)(H,24,27)
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InChIKey
TUHWUAWLPHDANB-UHFFFAOYSA-N
Physicochemical Property
logP
3.7387
Rotatable Bonds
5
Heavy Atom Count
28
Polar Areas
79.46
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
28

"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: 53319142
ChEMBL ID
CHEMBL1645296
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