(E)-N-(4-hexylphenyl)-3-phenyl-prop-2-enamide
Inhibitor information
- CovInDB Inhibitor
- CI002642
- Name
- (E)-N-(4-hexylphenyl)-3-phenyl-prop-2-enamide
- Molecular Formula
- C21H25NO
- Molecular Weight
- 307.19 g/mol
- Structure
-
- IUPAC Name
- (E)-N-(4-hexylphenyl)-3-phenyl-prop-2-enamide
- InChI
- InChI=1S/C21H25NO/c1-2-3-4-6-11-19-12-15-20(16-13-19)22-21(23)17-14-18-9-7-5-8-10-18/h5,7-10,12-17H,2-4,6,11H2,1H3,(H,22,23)/b17-14+
- InChI Key
- LCJIJNGNUXKGNQ-SAPNQHFASA-N
- Canonical SMILES
- CCCCCCc1ccc(NC(=O)/C=C/c2ccccc2)cc1
- Cocrystal structures
- No cocrystal structures found for this inhibitor.
Calculated Properties
- Molecular Weight
-
307.19 g/mol
Computed by RDKit
- logP
-
5.95
Computed by ALOGPS
- logS
-
-6.39
Computed by ALOGPS
- Heavy Atom Count
-
23
Computed by RDKit
- Ring Count
-
2
Computed by RDKit
- Hydrogen Bond Acceptor Count
-
1
Computed by RDKit
- Hydrogen Bond Donor Count
-
1
Computed by RDKit
- Rotatable Bond Count
-
8
Computed by RDKit
- Topological Polar Surface Area
-
29.1 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 |
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