General Information of the Compound
Compound ID
CP0282021
Compound Name
N-(4-chloro-3-fluorophenyl)-N'-(1-methylpiperidin-3-yl)oxyoxamide
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Structure
Formula
C14H17ClFN3O3
Molecular Weight
329.759
Canonical SMILES
CN1CCCC(C1)ONC(=O)C(=O)Nc1ccc(Cl)c(F)c1
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InChI
InChI=1S/C14H17ClFN3O3/c1-19-6-2-3-10(8-19)22-18-14(21)13(20)17-9-4-5-11(15)12(16)7-9/h4-5,7,10H,2-3,6,8H2,1H3,(H,17,20)(H,18,21)
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InChIKey
FFSVFVPJUXIJLN-UHFFFAOYSA-N
Physicochemical Property
logP
1.5596
Rotatable Bonds
3
Heavy Atom Count
22
Polar Areas
70.67
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
22

"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: 53317795
ChEMBL ID
CHEMBL1645241
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