2-fluoro-N-[3-[6-(methylamino)pyrimidin-4-yl]oxyphenyl]acetamide
Inhibitor information
- CovInDB Inhibitor
- CI008389
- Name
- 2-fluoro-N-[3-[6-(methylamino)pyrimidin-4-yl]oxyphenyl]acetamide
- Molecular Formula
- C13H13FN4O2
- Molecular Weight
- 276.1022539 g/mol
- Structure
-
- IUPAC Name
- 2-fluoro-N-[3-[6-(methylamino)pyrimidin-4-yl]oxyphenyl]acetamide
- InChI
- InChI=1S/C13H13FN4O2/c1-15-11-6-13(17-8-16-11)20-10-4-2-3-9(5-10)18-12(19)7-14/h2-6,8H,7H2,1H3,(H,18,19)(H,15,16,17)
- InChI Key
- UTZRWHOIDCOHNW-UHFFFAOYSA-N
- Canonical SMILES
- CNc1cc(Oc2cccc(NC(=O)CF)c2)ncn1
- Cocrystal structures
- No cocrystal structures found for this inhibitor.
Calculated Properties
- Molecular Weight
-
276.1022539 g/mol
Computed by RDKit
- logP
-
1.86
Computed by ALOGPS
- logS
-
-3.37
Computed by ALOGPS
- Heavy Atom Count
-
20
Computed by RDKit
- Ring Count
-
2
Computed by RDKit
- Hydrogen Bond Acceptor Count
-
5
Computed by RDKit
- Hydrogen Bond Donor Count
-
2
Computed by RDKit
- Rotatable Bond Count
-
5
Computed by RDKit
- Topological Polar Surface Area
-
76.14 Å2
Computed by RDKit
3D Structure
targets
| Name | ID | Warhead | Reaction Mechanism | Target Site | Activity Type | Relation | Value | Unit | Experiment Method | Assay | Reference |
|---|
Similar compounds in Virtual Screening library
No similar compounds in the virtual screening library found for this inhibitor.
Similar Natural compounds
No similar natural compounds found for this inhibitor.