General Information of the Compound
Compound ID
CP0108700
Compound Name
N'-(4-chloro-2-phenylmethoxyphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
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Structure
Formula
C24H30ClN3O3
Molecular Weight
443.975
Canonical SMILES
CC1(C)CC(CC(C)(C)N1)NC(=O)C(=O)Nc1ccc(Cl)cc1OCc1ccccc1
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InChI
InChI=1S/C24H30ClN3O3/c1-23(2)13-18(14-24(3,4)28-23)26-21(29)22(30)27-19-11-10-17(25)12-20(19)31-15-16-8-6-5-7-9-16/h5-12,18,28H,13-15H2,1-4H3,(H,26,29)(H,27,30)
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InChIKey
ZPZYWBPZBOYRIH-UHFFFAOYSA-N
Physicochemical Property
logP
4.2829
Rotatable Bonds
5
Heavy Atom Count
31
Polar Areas
79.46
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
31

"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: 53324415
ChEMBL ID
CHEMBL1645277
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