N-[2-[[2-(6-methyl-1H-indazol-3-yl)-1H-indol-4-yl]oxy]ethyl]prop-2-enamide
Inhibitor information
- CovInDB Inhibitor
- CI005944
- Name
- N-[2-[[2-(6-methyl-1H-indazol-3-yl)-1H-indol-4-yl]oxy]ethyl]prop-2-enamide
- Molecular Formula
- C21H20N4O2
- Molecular Weight
- 360.1586259 g/mol
- Structure
-
- IUPAC Name
- N-[2-[[2-(6-methyl-1H-indazol-3-yl)-1H-indol-4-yl]oxy]ethyl]prop-2-enamide
- InChI
- InChI=1S/C21H20N4O2/c1-3-20(26)22-9-10-27-19-6-4-5-16-15(19)12-18(23-16)21-14-8-7-13(2)11-17(14)24-25-21/h3-8,11-12,23H,1,9-10H2,2H3,(H,22,26)(H,24,25)
- InChI Key
- CSXXWBYECXBLBV-UHFFFAOYSA-N
- Canonical SMILES
- C=CC(=O)NCCOc1cccc2[nH]c(-c3n[nH]c4cc(C)ccc34)cc12
- Cocrystal structures
- No cocrystal structures found for this inhibitor.
Calculated Properties
- Molecular Weight
-
360.1586259 g/mol
Computed by RDKit
- logP
-
4.006
Computed by ALOGPS
- logS
-
-5.14
Computed by ALOGPS
- Heavy Atom Count
-
27
Computed by RDKit
- Ring Count
-
4
Computed by RDKit
- Hydrogen Bond Acceptor Count
-
3
Computed by RDKit
- Hydrogen Bond Donor Count
-
3
Computed by RDKit
- Rotatable Bond Count
-
6
Computed by RDKit
- Topological Polar Surface Area
-
82.8 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.