(3S)-3-Amino-7-chloro-1-hydroxy-3,4-dihydroquinolin-2-one
Inhibitor information
- CovInDB Inhibitor
- CI000723
- Name
- (3S)-3-Amino-7-chloro-1-hydroxy-3,4-dihydroquinolin-2-one
- Molecular Formula
- C9H9ClN2O2
- Molecular Weight
- 212.63 g/mol
- Structure
-
- IUPAC Name
- (3S)-3-amino-7-chloro-1-hydroxy-3,4-dihydroquinolin-2-one
- InChI
- InChI=1S/C9H9ClN2O2/c10-6-2-1-5-3-7(11)9(13)12(14)8(5)4-6/h1-2,4,7,14H,3,11H2/t7-/m0/s1
- InChI Key
- UAIVPPAGWHXQPR-ZETCQYMHSA-N
- Canonical SMILES
- N[C@H]1Cc2ccc(Cl)cc2N(O)C1=O
- Cocrystal structures
- No cocrystal structures found for this inhibitor.
Calculated Properties
- Molecular Weight
-
212.63 g/mol
Computed by RDKit
- logP
-
0.26
Computed by ALOGPS
- logS
-
-1.83
Computed by ALOGPS
- Heavy Atom Count
-
14
Computed by RDKit
- Ring Count
-
2
Computed by RDKit
- Hydrogen Bond Acceptor Count
-
3
Computed by RDKit
- Hydrogen Bond Donor Count
-
2
Computed by RDKit
- Rotatable Bond Count
-
0
Computed by RDKit
- Topological Polar Surface Area
-
66.56 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.