General Information of the Compound
Compound ID
CP0416450
Compound Name
3-[(4-chlorophenyl)sulfamoyl]-4-methoxy-N-[1-(2-methyltriazol-4-yl)ethyl]benzamide
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Structure
Formula
C19H20ClN5O4S
Molecular Weight
449.92
Canonical SMILES
COc1ccc(cc1S(=O)(=O)Nc1ccc(Cl)cc1)C(=O)NC(C)c1cnn(C)n1
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InChI
InChI=1S/C19H20ClN5O4S/c1-12(16-11-21-25(2)23-16)22-19(26)13-4-9-17(29-3)18(10-13)30(27,28)24-15-7-5-14(20)6-8-15/h4-12,24H,1-3H3,(H,22,26)
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InChIKey
DERVNKULTWJINM-UHFFFAOYSA-N
Physicochemical Property
logP
2.7689
Rotatable Bonds
7
Heavy Atom Count
30
Polar Areas
115.21
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Complexity
30

"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: 145957865
ChEMBL ID
CHEMBL4159883
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: PT03667, ATP-sensitive inward rectifier potassium channel 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 61 nM
   TI
   LI
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   TS
Protein ID: PT03661, ATP-sensitive inward rectifier potassium channel 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 30000 nM
   TI
   LI
   LO
   TS