General Information of the Compound
Compound ID
CP0314007
Compound Name
N'-(3-phenylmethoxyphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
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Structure
Formula
C24H31N3O3
Molecular Weight
409.53
Canonical SMILES
CC1(C)CC(CC(C)(C)N1)NC(=O)C(=O)Nc1cccc(OCc2ccccc2)c1
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InChI
InChI=1S/C24H31N3O3/c1-23(2)14-19(15-24(3,4)27-23)26-22(29)21(28)25-18-11-8-12-20(13-18)30-16-17-9-6-5-7-10-17/h5-13,19,27H,14-16H2,1-4H3,(H,25,28)(H,26,29)
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InChIKey
CKMCQLQSBNWRED-UHFFFAOYSA-N
Physicochemical Property
logP
3.6295
Rotatable Bonds
5
Heavy Atom Count
30
Polar Areas
79.46
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
30

"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: 53320324
ChEMBL ID
CHEMBL1645295
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