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ID: ALA1428133
Max Phase: Preclinical
Molecular Formula: C7H10N2O2S2
Molecular Weight: 218.30
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CN(C)S(=O)(=O)c1ccc(S)nc1
Standard InChI: InChI=1S/C7H10N2O2S2/c1-9(2)13(10,11)6-3-4-7(12)8-5-6/h3-5H,1-2H3,(H,8,12)
Standard InChI Key: KXWCLTUJKJXRAN-UHFFFAOYSA-N
Associated Targets(Human)
Associated Targets(non-human)
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | Topical: No | First In Class: No | Black Box: No |
| Chirality: No | Availability: No | Prodrug: No |
Drug Indications
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 218.30 | Molecular Weight (Monoisotopic): 218.0184 | AlogP: 0.62 | #Rotatable Bonds: 2 |
| Polar Surface Area: 50.27 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 7.07 | CX Basic pKa: 0.56 | CX LogP: 0.50 | CX LogD: 0.03 |
| Aromatic Rings: 1 | Heavy Atoms: 13 | QED Weighted: 0.74 | Np Likeness Score: -2.15 |
References
| 1. PubChem BioAssay data set, |
