4'-Fluoro-1-imidazolecarboxanilide
Inhibitor information
- CovInDB Inhibitor
- CI000169
- Name
- 4'-Fluoro-1-imidazolecarboxanilide
- Molecular Formula
- C10H8FN3O
- Molecular Weight
- 205.19 g/mol
- Structure
-
- IUPAC Name
- N-(4-fluorophenyl)imidazole-1-carboxamide
- InChI
- InChI=1S/C10H8FN3O/c11-8-1-3-9(4-2-8)13-10(15)14-6-5-12-7-14/h1-7H,(H,13,15)
- InChI Key
- UXDLDIRPORKSKZ-UHFFFAOYSA-N
- Canonical SMILES
- O=C(Nc1ccc(F)cc1)n1ccnc1
- Cocrystal structures
- No cocrystal structures found for this inhibitor.
Calculated Properties
- Molecular Weight
-
205.19 g/mol
Computed by RDKit
- logP
-
1.45
Computed by ALOGPS
- logS
-
-2.18
Computed by ALOGPS
- Heavy Atom Count
-
15
Computed by RDKit
- Ring Count
-
2
Computed by RDKit
- Hydrogen Bond Acceptor Count
-
3
Computed by RDKit
- Hydrogen Bond Donor Count
-
1
Computed by RDKit
- Rotatable Bond Count
-
1
Computed by RDKit
- Topological Polar Surface Area
-
46.92 Å2
Computed by RDKit
3D Structure
Show Warhead
targets
| Name | ID | Warhead | Reaction Mechanism | Target Site | Activity Type | Relation | Value | Unit | Experiment Method | Assay | Reference |
|---|
Similar compounds in Virtual Screening library
Similar Natural compounds
No similar natural compounds found for this inhibitor.