General Information of the Compound
Compound ID
CP0530201
Compound Name
N'-(6-methylpyridin-2-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
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Structure
Formula
C17H26N4O2
Molecular Weight
318.421
Canonical SMILES
Cc1cccc(NC(=O)C(=O)NC2CC(C)(C)NC(C)(C)C2)n1
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InChI
InChI=1S/C17H26N4O2/c1-11-7-6-8-13(18-11)20-15(23)14(22)19-12-9-16(2,3)21-17(4,5)10-12/h6-8,12,21H,9-10H2,1-5H3,(H,19,22)(H,18,20,23)
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InChIKey
YSIMURANJTXICU-UHFFFAOYSA-N
Physicochemical Property
logP
1.75392
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: 108522417
ChEMBL ID
CHEMBL4448368
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 > 100000 nM
   TI
   LI
   LO
   TS