Molecule card · MolClass #47937
24799749
24799749: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 24799749Mitochondrial Fusion · compound_name
- MolClass ID
- 47937
- InChIKey
- QVWLQADPTQMGDM-UHFFFAOYSA-N
- Canonical SMILES
- CN(CC1COCCO1)Cc2nc(no2)c3cccs3
- Standard InChI
- InChI=1S/C13H17N3O3S/c1-16(7-10-9-17-4-5-18-10)8-12-14-13(15-19-12)11-3-2-6-20-11/h2-3,6,10H,4-5,7-9H2,1H3
- Stored Murcko scaffold
- n1oc(nc1-c2sccc2)CNCC3OCCOC3
Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.
Molecules with the same Murcko scaffold
Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 88.86 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 295.359 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.421
- CDK 2.12 · 2026-08-19
Saved model predictions
Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.
No saved predictions yet. Explore classification models to choose a prediction.
Source datasets
Dataset registrations and identifiers stored in MolClass.
Mitochondrial Fusion
Dataset #19 · 24799749