General Information of the Compound
Compound ID
CP0282023
Compound Name
N'-(4-chloro-3-propan-2-yloxyphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
    Show/Hide
Structure
Formula
C20H30ClN3O3
Molecular Weight
395.931
Canonical SMILES
CC(C)Oc1cc(NC(=O)C(=O)NC2CC(C)(C)NC(C)(C)C2)ccc1Cl
    Show/Hide
InChI
InChI=1S/C20H30ClN3O3/c1-12(2)27-16-9-13(7-8-15(16)21)22-17(25)18(26)23-14-10-19(3,4)24-20(5,6)11-14/h7-9,12,14,24H,10-11H2,1-6H3,(H,22,25)(H,23,26)
    Show/Hide
InChIKey
VVLQAOMQALPNET-UHFFFAOYSA-N
Physicochemical Property
logP
3.4911
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
79.46
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 53326853
ChEMBL ID
CHEMBL1645293
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