General Information of the Compound
Compound ID
CP0415984
Compound Name
N'-(2-bromopyridin-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
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Structure
Formula
C16H23BrN4O2
Molecular Weight
383.29
Canonical SMILES
CC1(C)CC(CC(C)(C)N1)NC(=O)C(=O)Nc1ccnc(Br)c1
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InChI
InChI=1S/C16H23BrN4O2/c1-15(2)8-11(9-16(3,4)21-15)20-14(23)13(22)19-10-5-6-18-12(17)7-10/h5-7,11,21H,8-9H2,1-4H3,(H,20,23)(H,18,19,22)
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InChIKey
WPEJPMACHHURAL-UHFFFAOYSA-N
Physicochemical Property
logP
2.208
Rotatable Bonds
2
Heavy Atom Count
23
Polar Areas
83.12
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
23

"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: 155548451
ChEMBL ID
CHEMBL4536283
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: PT00059, Envelope glycoprotein gp160
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000599 TZM-bl Homo sapiens (Human)  1
1
IC50 = 3600 nM
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