2-(4,5-dichloro-6-oxo-pyridazin-1-yl)-N-[4-methyl-3-[2-(2-pyridyl)ethylsulfamoyl]phenyl]acetamide
Inhibitor information
- CovInDB Inhibitor
- CI007170
- Name
- 2-(4,5-dichloro-6-oxo-pyridazin-1-yl)-N-[4-methyl-3-[2-(2-pyridyl)ethylsulfamoyl]phenyl]acetamide
- Molecular Formula
- C20H19Cl2N5O4S
- Molecular Weight
- 495.0534804 g/mol
- Structure
-
- IUPAC Name
- 2-(4,5-dichloro-6-oxo-pyridazin-1-yl)-N-[4-methyl-3-[2-(2-pyridyl)ethylsulfamoyl]phenyl]acetamide
- InChI
- InChI=1S/C20H19Cl2N5O4S/c1-13-5-6-15(26-18(28)12-27-20(29)19(22)16(21)11-24-27)10-17(13)32(30,31)25-9-7-14-4-2-3-8-23-14/h2-6,8,10-11,25H,7,9,12H2,1H3,(H,26,28)
- InChI Key
- GBGTXIJEYNBKMD-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1S(=O)(=O)NCCc1ccccn1
- Cocrystal structures
- 7M05
Calculated Properties
- Molecular Weight
-
495.0534804 g/mol
Computed by RDKit
- logP
-
1.34
Computed by ALOGPS
- logS
-
-4.01
Computed by ALOGPS
- Heavy Atom Count
-
32
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.