ID: ALA2288440
Max Phase: Preclinical
Molecular Formula: C10H13NO2S
Molecular Weight: 211.29
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: CCNC(=O)Oc1ccc(SC)cc1
Standard InChI: InChI=1S/C10H13NO2S/c1-3-11-10(12)13-8-4-6-9(14-2)7-5-8/h4-7H,3H2,1-2H3,(H,11,12)
Standard InChI Key: MWFNDFNOWOHPNF-UHFFFAOYSA-N
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| 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 |
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
| Molecular Weight: 211.29 | Molecular Weight (Monoisotopic): 211.0667 | AlogP: 2.52 | #Rotatable Bonds: 3 |
| Polar Surface Area: 38.33 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 2.46 | CX LogD: 2.46 |
| Aromatic Rings: 1 | Heavy Atoms: 14 | QED Weighted: 0.78 | Np Likeness Score: -1.28 |
| 1. KONNO Y, SHISHIDO T. (1990) Aryl N, N-Dimethylcarbamates, Synergists for Organophosphorus Insecticides against Organophos-phorusresistant Rice Stem Borers, 15 (2): [10.1584/jpestics.15.175] |
Source(1):
