General Information of the Compound
Compound ID
CP0396536
Compound Name
N-(4-chlorophenyl)-5-methoxy-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
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Structure
Formula
C21H16ClF3N2O4S
Molecular Weight
484.883
Canonical SMILES
COc1ccc(NS(=O)(=O)c2cccc(c2)C(F)(F)F)c(c1)C(=O)Nc1ccc(Cl)cc1
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InChI
InChI=1S/C21H16ClF3N2O4S/c1-31-16-9-10-19(18(12-16)20(28)26-15-7-5-14(22)6-8-15)27-32(29,30)17-4-2-3-13(11-17)21(23,24)25/h2-12,27H,1H3,(H,26,28)
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InChIKey
UXXHWBHOJLOKLX-UHFFFAOYSA-N
Physicochemical Property
logP
5.4205
Rotatable Bonds
6
Heavy Atom Count
32
Polar Areas
84.5
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
32

"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: 9935056
SID: 14908141
ChEMBL ID
CHEMBL4170023
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: PT05802, Sodium-dependent phosphate transport protein 2A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
IC50 > 7300 nM
   TI
   LI
   LO
   TS
2
Ki > 25000 nM
   TI
   LI
   LO
   TS
Protein ID: PT06327, Sodium-dependent phosphate transport protein 2B
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 3300 nM
   TI
   LI
   LO
   TS
Protein ID: PT06563, Sodium-dependent phosphate transport protein 2C
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 7500 nM
   TI
   LI
   LO
   TS
Protein ID: PT06459, Sodium-dependent phosphate transporter 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 1500 nM
   TI
   LI
   LO
   TS
Protein ID: PT06507, Sodium-dependent phosphate transporter 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 6200 nM
   TI
   LI
   LO
   TS