2-(4-chloro-6-oxo-pyridazin-1-yl)-N-[4-methyl-3-[2-(2-pyridyl)ethylsulfamoyl]phenyl]acetamide
Inhibitor information
- CovInDB Inhibitor
- CI007174
- Name
- 2-(4-chloro-6-oxo-pyridazin-1-yl)-N-[4-methyl-3-[2-(2-pyridyl)ethylsulfamoyl]phenyl]acetamide
- Molecular Formula
- C20H20ClN5O4S
- Molecular Weight
- 461.0924528 g/mol
- Structure
-
- IUPAC Name
- 2-(4-chloro-6-oxo-pyridazin-1-yl)-N-[4-methyl-3-[2-(2-pyridyl)ethylsulfamoyl]phenyl]acetamide
- InChI
- InChI=1S/C20H20ClN5O4S/c1-14-5-6-17(25-19(27)13-26-20(28)10-15(21)12-23-26)11-18(14)31(29,30)24-9-7-16-4-2-3-8-22-16/h2-6,8,10-12,24H,7,9,13H2,1H3,(H,25,27)
- InChI Key
- PPOQDUIBFZGAAN-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(NC(=O)Cn2ncc(Cl)cc2=O)cc1S(=O)(=O)NCCc1ccccn1
- Cocrystal structures
- No cocrystal structures found for this inhibitor.
Calculated Properties
- Molecular Weight
-
461.0924528 g/mol
Computed by RDKit
- logP
-
0.85
Computed by ALOGPS
- logS
-
-3.6
Computed by ALOGPS
- Heavy Atom Count
-
31
Computed by RDKit
- Ring Count
-
3
Computed by RDKit
- Hydrogen Bond Acceptor Count
-
7
Computed by RDKit
- Hydrogen Bond Donor Count
-
2
Computed by RDKit
- Rotatable Bond Count
-
8
Computed by RDKit
- Topological Polar Surface Area
-
123.05 Å2
Computed by RDKit
3D Structure
targets
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bioactivity
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ADMET
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reactivity
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Similar compounds in Virtual Screening library
Similar Natural compounds
No similar natural compounds found for this inhibitor.