N-(1H-indazol-5-ylmethyl)prop-2-enamide
Inhibitor information
- CovInDB Inhibitor
- CI008031
- Name
- N-(1H-indazol-5-ylmethyl)prop-2-enamide
- Molecular Formula
- C11H11N3O
- Molecular Weight
- 201.090212 g/mol
- Structure
-
- IUPAC Name
- N-(1H-indazol-5-ylmethyl)prop-2-enamide
- InChI
- InChI=1S/C11H11N3O/c1-2-11(15)12-6-8-3-4-10-9(5-8)7-13-14-10/h2-5,7H,1,6H2,(H,12,15)(H,13,14)
- InChI Key
- ZFQPERDEJQKPOQ-UHFFFAOYSA-N
- Canonical SMILES
- C=CC(=O)NCc1ccc2[nH]ncc2c1
- Cocrystal structures
- No cocrystal structures found for this inhibitor.
Calculated Properties
- Molecular Weight
-
201.090212 g/mol
Computed by RDKit
- logP
-
1.02
Computed by ALOGPS
- logS
-
-2.36
Computed by ALOGPS
- Heavy Atom Count
-
15
Computed by RDKit
- Ring Count
-
2
Computed by RDKit
- Hydrogen Bond Acceptor Count
-
2
Computed by RDKit
- Hydrogen Bond Donor Count
-
2
Computed by RDKit
- Rotatable Bond Count
-
3
Computed by RDKit
- Topological Polar Surface Area
-
57.78 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.