(Z)-2-bromo-1-(4-bromophenyl)-N-methoxy-ethanimine
Inhibitor information
- CovInDB Inhibitor
- CI003051
- Name
- (Z)-2-bromo-1-(4-bromophenyl)-N-methoxy-ethanimine
- Molecular Formula
- C9H9Br2NO
- Molecular Weight
- 304.91 g/mol
- Structure
-
- IUPAC Name
- (Z)-2-bromo-1-(4-bromophenyl)-N-methoxy-ethanimine
- InChI
- InChI=1S/C9H9Br2NO/c1-13-12-9(6-10)7-2-4-8(11)5-3-7/h2-5H,6H2,1H3/b12-9+
- InChI Key
- IMGBGULUQGPZRQ-FMIVXFBMSA-N
- Canonical SMILES
- CO/N=C(\CBr)c1ccc(Br)cc1
- Cocrystal structures
- No cocrystal structures found for this inhibitor.
Calculated Properties
- Molecular Weight
-
304.91 g/mol
Computed by RDKit
- logP
-
3.42
Computed by ALOGPS
- logS
-
-4.64
Computed by ALOGPS
- Heavy Atom Count
-
13
Computed by RDKit
- Ring Count
-
1
Computed by RDKit
- Hydrogen Bond Acceptor Count
-
2
Computed by RDKit
- Hydrogen Bond Donor Count
-
0
Computed by RDKit
- Rotatable Bond Count
-
3
Computed by RDKit
- Topological Polar Surface Area
-
21.59 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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Similar compounds in Virtual Screening library
No similar compounds in the virtual screening library found for this inhibitor.
Similar Natural compounds
No similar natural compounds found for this inhibitor.