General Information of the Compound
Compound ID
CP0538732
Compound Name
5-(cyclohexylsulfonylamino)-N-(3,4-difluorophenyl)-2-fluorobenzamide
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Structure
Formula
C19H19F3N2O3S
Molecular Weight
412.433
Canonical SMILES
Fc1ccc(NC(=O)c2cc(NS(=O)(=O)C3CCCCC3)ccc2F)cc1F
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InChI
InChI=1S/C19H19F3N2O3S/c20-16-8-7-13(24-28(26,27)14-4-2-1-3-5-14)10-15(16)19(25)23-12-6-9-17(21)18(22)11-12/h6-11,14,24H,1-5H2,(H,23,25)
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InChIKey
NNVGDHRVCQMTCQ-UHFFFAOYSA-N
Physicochemical Property
logP
4.4306
Rotatable Bonds
5
Heavy Atom Count
28
Polar Areas
75.27
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
28

"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: 145974199
ChEMBL ID
CHEMBL4216398
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: PT00295, Capsid protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000628 HepAD38 Homo sapiens (Human)  1
1
EC50 = 9700 nM
   TI
   LI
   LO
   TS
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000057 Vero Chlorocebus sabaeus (Green monkey)  1
1
CC50 = 6400 nM
   TI
   LI
   LO
   TS
CL000108 CCRF-CEM Homo sapiens (Human)  1
1
CC50 = 74500 nM
   TI
   LI
   LO
   TS
CL000752 PBMC iPSC #1 Homo sapiens (Human)  1
1
CC50 > 100000 nM
   TI
   LI
   LO
   TS