General Information of the Compound
Compound ID
CP0293016
Compound Name
N-(4-chloro-3-fluorophenyl)-N'-[1-(4-sulfamoylphenyl)ethyl]oxamide
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Structure
Formula
C16H15ClFN3O4S
Molecular Weight
399.831
Canonical SMILES
CC(NC(=O)C(=O)Nc1ccc(Cl)c(F)c1)c1ccc(cc1)S(N)(=O)=O
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InChI
InChI=1S/C16H15ClFN3O4S/c1-9(10-2-5-12(6-3-10)26(19,24)25)20-15(22)16(23)21-11-4-7-13(17)14(18)8-11/h2-9H,1H3,(H,20,22)(H,21,23)(H2,19,24,25)
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InChIKey
YZPQWDFFNSQZGB-UHFFFAOYSA-N
Physicochemical Property
logP
1.9424
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
118.36
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
26

"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: 46199759
SID: 96053715
ChEMBL ID
CHEMBL1645282
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