N-(3-methylisoxazolo[5,4-b]pyridin-5-yl)prop-2-enamide
Inhibitor information
- CovInDB Inhibitor
- CI008035
- Name
- N-(3-methylisoxazolo[5,4-b]pyridin-5-yl)prop-2-enamide
- Molecular Formula
- C10H9N3O2
- Molecular Weight
- 203.0694765 g/mol
- Structure
-
- IUPAC Name
- N-(3-methylisoxazolo[5,4-b]pyridin-5-yl)prop-2-enamide
- InChI
- InChI=1S/C10H9N3O2/c1-3-9(14)12-7-4-8-6(2)13-15-10(8)11-5-7/h3-5H,1H2,2H3,(H,12,14)
- InChI Key
- NPJOFBZOWIDWSW-UHFFFAOYSA-N
- Canonical SMILES
- C=CC(=O)Nc1cnc2onc(C)c2c1
- Cocrystal structures
- No cocrystal structures found for this inhibitor.
Calculated Properties
- Molecular Weight
-
203.0694765 g/mol
Computed by RDKit
- logP
-
1.4
Computed by ALOGPS
- logS
-
-2.6
Computed by ALOGPS
- Heavy Atom Count
-
15
Computed by RDKit
- Ring Count
-
2
Computed by RDKit
- Hydrogen Bond Acceptor Count
-
4
Computed by RDKit
- Hydrogen Bond Donor Count
-
1
Computed by RDKit
- Rotatable Bond Count
-
2
Computed by RDKit
- Topological Polar Surface Area
-
68.02 Å2
Computed by RDKit
3D Structure
targets
| Name | ID | Warhead | Reaction Mechanism | Target Site | Activity Type | Relation | Value | Unit | Experiment Method | Assay | Reference |
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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.