(6-oxo-8,9,10,11-tetrahydro-7H-cyclohepta[c]chromen-3-yl)sulfamate
Inhibitor information
- CovInDB Inhibitor
- CI002121
- Name
- (6-oxo-8,9,10,11-tetrahydro-7H-cyclohepta[c]chromen-3-yl)sulfamate
- Molecular Formula
- C14H15NO5S
- Molecular Weight
- 309.07 g/mol
- Structure
-
- IUPAC Name
- (6-oxo-8,9,10,11-tetrahydro-7H-cyclohepta[c]chromen-3-yl)sulfamate
- InChI
- InChI=1S/C14H15NO5S/c15-21(17,18)20-9-6-7-11-10-4-2-1-3-5-12(10)14(16)19-13(11)8-9/h6-8H,1-5H2,(H2,15,17,18)
- InChI Key
- DSLPMJSGSBLWRE-UHFFFAOYSA-N
- Canonical SMILES
- NS(=O)(=O)Oc1ccc2c3c(c(=O)oc2c1)CCCCC3
- Cocrystal structures
- No cocrystal structures found for this inhibitor.
Calculated Properties
- Molecular Weight
-
309.07 g/mol
Computed by RDKit
- logP
-
2.82
Computed by ALOGPS
- logS
-
-3.57
Computed by ALOGPS
- Heavy Atom Count
-
21
Computed by RDKit
- Ring Count
-
3
Computed by RDKit
- Hydrogen Bond Acceptor Count
-
5
Computed by RDKit
- Hydrogen Bond Donor Count
-
1
Computed by RDKit
- Rotatable Bond Count
-
2
Computed by RDKit
- Topological Polar Surface Area
-
99.6 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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