N-[3-(6-methyl-1H-indazol-3-yl)phenyl]prop-2-enamide
Inhibitor information
- CovInDB Inhibitor
- CI006613
- Name
- N-[3-(6-methyl-1H-indazol-3-yl)phenyl]prop-2-enamide
- Molecular Formula
- C17H15N3O
- Molecular Weight
- 277.1215121 g/mol
- Structure
-
- IUPAC Name
- N-[3-(6-methyl-1H-indazol-3-yl)phenyl]prop-2-enamide
- InChI
- InChI=1S/C17H15N3O/c1-3-16(21)18-13-6-4-5-12(10-13)17-14-8-7-11(2)9-15(14)19-20-17/h3-10H,1H2,2H3,(H,18,21)(H,19,20)
- InChI Key
- YCMAZDUWLKXRRU-UHFFFAOYSA-N
- Canonical SMILES
- C=CC(=O)Nc1cccc(-c2n[nH]c3cc(C)ccc23)c1
- Cocrystal structures
- 5Z1D
Calculated Properties
- Molecular Weight
-
277.1215121 g/mol
Computed by RDKit
- logP
-
3.654
Computed by ALOGPS
- logS
-
-5.102
Computed by ALOGPS
- Heavy Atom Count
-
21
Computed by RDKit
- Ring Count
-
3
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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Similar compounds in Virtual Screening library
Similar Natural compounds
No similar natural compounds found for this inhibitor.