General Information of the Compound
Compound ID
CP0223621
Compound Name
N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
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Structure
Formula
C18H23ClF3N3O2
Molecular Weight
405.848
Canonical SMILES
CC1(C)CC(CC(C)(C)N1)NC(=O)C(=O)Nc1ccc(Cl)cc1C(F)(F)F
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InChI
InChI=1S/C18H23ClF3N3O2/c1-16(2)8-11(9-17(3,4)25-16)23-14(26)15(27)24-13-6-5-10(19)7-12(13)18(20,21)22/h5-7,11,25H,8-9H2,1-4H3,(H,23,26)(H,24,27)
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InChIKey
CFNDNKNMQPRGHG-UHFFFAOYSA-N
Physicochemical Property
logP
3.7227
Rotatable Bonds
2
Heavy Atom Count
27
Polar Areas
70.23
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Complexity
27

"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: 53319112
ChEMBL ID
CHEMBL1645274
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