General Information of the Compound
Compound ID
CP0282807
Compound Name
N'-(4-chloro-3-fluorophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
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Structure
Formula
C17H23ClFN3O2
Molecular Weight
355.841
Canonical SMILES
CC1(C)CC(CC(C)(C)N1)NC(=O)C(=O)Nc1ccc(Cl)c(F)c1
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InChI
InChI=1S/C17H23ClFN3O2/c1-16(2)8-11(9-17(3,4)22-16)21-15(24)14(23)20-10-5-6-12(18)13(19)7-10/h5-7,11,22H,8-9H2,1-4H3,(H,20,23)(H,21,24)
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InChIKey
WNIRIUAQGASKHI-UHFFFAOYSA-N
Physicochemical Property
logP
2.843
Rotatable Bonds
2
Heavy Atom Count
24
Polar Areas
70.23
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Complexity
24

"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: 46186917
SID: 96040356
ChEMBL ID
CHEMBL1645111
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: PT03571, Envelope glycoprotein gp160
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000442 Cf2Th-CCR5 Canis lupus familiaris (Dog)  2
1
IC50 = 9600 nM
   TI
   LI
   LO
   TS
2
IC50 = 29100 nM
   TI
   LI
   LO
   TS
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 = 74800 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Kd = 760 nM